 Entering Gaussian System, Link 0=g16
 Input=36b_RhEn3-lel2ob_STD_wB97XD-augccpVDZr.in
 Output=36b_RhEn3-lel2ob_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36b_RhEn3-lel2ob_STD/Gau-39720.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36b_RhEn3-lel2ob_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39722.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36b_RhEn3-lel2ob_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 00:27:35 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36b_RhEn3-lel2ob_STD_wB97XD-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.549130000000     -1.314427000000     -0.788263000000
  C                                                -2.489211000000     -1.476014000000      0.711136000000
  N                                                -1.044481000000     -1.454430000000      1.136257000000
  Rh                                               -0.000130000000      0.001194000000     -0.000069000000
  N                                                 0.979011000000     -1.499359000000     -1.135079000000
  C                                                 2.421772000000     -1.582914000000     -0.710906000000
  C                                                 2.489662000000     -1.422620000000      0.788334000000
  N                                                 1.765206000000     -0.157327000000      1.164490000000
  N                                                -1.771326000000     -0.081265000000     -1.164692000000
  N                                                 0.846355000000      1.588228000000     -1.125363000000
  C                                                 0.738354000000      2.867165000000     -0.338772000000
  H                                                 3.522736000000     -1.386984000000      1.135893000000
  H                                                 2.001302000000     -2.252121000000      1.300550000000
  H                                                 2.857264000000     -2.531090000000     -1.027803000000
  H                                                 2.968216000000     -0.788605000000     -1.220402000000
  H                                                -2.965540000000     -2.404079000000      1.028788000000
  H                                                -3.001107000000     -0.658112000000      1.219196000000
  H                                                -3.579527000000     -1.235079000000     -1.136554000000
  H                                                -2.096291000000     -2.164483000000     -1.299497000000
  H                                                -2.362756000000      0.735150000000     -1.010250000000
  H                                                -1.609574000000     -0.093550000000     -2.171636000000
  H                                                -0.655838000000     -2.389231000000      1.013613000000
  H                                                -1.001113000000     -1.293216000000      2.142374000000
  H                                                 0.550136000000     -2.416064000000     -1.010284000000
  H                                                 0.941873000000     -1.338186000000     -2.141433000000
  H                                                 2.390480000000      0.633399000000      1.009972000000
  H                                                 1.602819000000     -0.162719000000      2.171382000000
  C                                                -0.610551000000      2.897132000000      0.338045000000
  N                                                -0.774945000000      1.624430000000      1.124896000000
  H                                                 1.817285000000      1.452090000000     -1.405369000000
  H                                                 0.343548000000      1.706576000000     -2.005010000000
  H                                                 1.547070000000      2.884615000000      0.392932000000
  H                                                 0.872026000000      3.729136000000     -0.993286000000
  H                                                -0.705735000000      3.764310000000      0.992421000000
  H                                                -1.417928000000      2.950178000000     -0.393378000000
  H                                                -1.750811000000      1.531991000000      1.405639000000
  H                                                -0.266808000000      1.720469000000      2.004222000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1          12          14           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  14.0030740   1.0078250
 NucSpn=           1           1           1           1           1           1           1           0           2           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   4.5500000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.4037610   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   7.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 00:27:35 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549130   -1.314427   -0.788263
      2          6           0       -2.489211   -1.476014    0.711136
      3          7           0       -1.044481   -1.454430    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979011   -1.499359   -1.135079
      6          6           0        2.421772   -1.582914   -0.710906
      7          6           0        2.489662   -1.422620    0.788334
      8          7           0        1.765206   -0.157327    1.164490
      9          7           0       -1.771326   -0.081265   -1.164692
     10          7           0        0.846355    1.588228   -1.125363
     11          6           0        0.738354    2.867165   -0.338772
     12          1           0        3.522736   -1.386984    1.135893
     13          1           0        2.001302   -2.252121    1.300550
     14          1           0        2.857264   -2.531090   -1.027803
     15          1           0        2.968216   -0.788605   -1.220402
     16          1           0       -2.965540   -2.404079    1.028788
     17          1           0       -3.001107   -0.658112    1.219196
     18          1           0       -3.579527   -1.235079   -1.136554
     19          1           0       -2.096291   -2.164483   -1.299497
     20          1           0       -2.362756    0.735150   -1.010250
     21          1           0       -1.609574   -0.093550   -2.171636
     22          1           0       -0.655838   -2.389231    1.013613
     23          1           0       -1.001113   -1.293216    2.142374
     24          1           0        0.550136   -2.416064   -1.010284
     25          1           0        0.941873   -1.338186   -2.141433
     26          1           0        2.390480    0.633399    1.009972
     27          1           0        1.602819   -0.162719    2.171382
     28          6           0       -0.610551    2.897132    0.338045
     29          7           0       -0.774945    1.624430    1.124896
     30          1           0        1.817285    1.452090   -1.405369
     31          1           0        0.343548    1.706576   -2.005010
     32          1           0        1.547070    2.884615    0.392932
     33          1           0        0.872026    3.729136   -0.993286
     34          1           0       -0.705735    3.764310    0.992421
     35          1           0       -1.417928    2.950178   -0.393378
     36          1           0       -1.750811    1.531991    1.405639
     37          1           0       -0.266808    1.720469    2.004222
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509271   0.000000
     3  N    2.446906   1.506134   0.000000
     4  Rh   2.974812   2.980517   2.121496   0.000000
     5  N    3.549966   3.929074   3.042286   2.120996   0.000000
     6  C    4.978748   5.113842   3.929813   2.979983   1.506142
     7  C    5.280794   4.979758   3.551370   2.974540   2.446931
     8  N    4.874999   4.477112   3.094772   2.120787   2.776179
     9  N    1.505778   2.445284   2.776374   2.121387   3.094547
    10  N    4.479772   4.887567   4.236503   2.121674   3.090451
    11  C    5.338099   5.512049   4.902081   2.978904   4.445059
    12  H    6.369866   6.027591   4.567715   3.953231   3.411815
    13  H    5.094001   4.595047   3.152792   3.282494   2.746638
    14  H    5.546778   5.720305   4.589768   3.953909   2.145649
    15  H    5.559167   5.829827   4.700947   3.305159   2.114093
    16  H    2.159262   1.090457   2.145659   3.954433   4.589153
    17  H    2.159844   1.090471   2.114092   3.305625   4.700175
    18  H    1.090560   2.158888   3.411780   3.953739   4.566193
    19  H    1.090421   2.161254   2.746521   3.282158   3.150699
    20  H    2.069971   2.805068   3.337604   2.672295   4.021942
    21  H    2.070514   3.315923   3.621254   2.704624   3.122743
    22  H    2.826042   2.070438   1.019773   2.677991   2.842795
    23  H    3.314429   2.072750   1.019874   2.695835   3.834721
    24  H    3.296718   3.617266   2.841686   2.677025   1.019733
    25  H    3.744160   4.464133   3.834367   2.695691   1.019855
    26  H    5.606017   5.324501   4.021683   2.671120   3.337985
    27  H    5.227295   4.538917   3.122210   2.703981   3.620556
    28  C    4.771152   4.774198   4.445394   2.978824   4.901626
    29  N    3.929986   3.566884   3.090657   2.121504   4.235789
    30  H    5.205768   5.621325   4.805978   2.717161   3.080067
    31  H    4.355975   5.052806   4.667563   2.654474   3.382102
    32  H    5.983814   5.950454   5.108422   3.295815   4.677257
    33  H    6.097858   6.426240   5.922610   3.955337   5.231511
    34  H    5.688806   5.542644   5.231700   3.955244   5.922064
    35  H    4.429719   4.686019   4.677587   3.295656   5.108211
    36  H    3.681388   3.174218   3.080613   2.717396   4.805857
    37  H    4.713551   4.102274   3.382029   2.654092   4.666323
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509312   0.000000
     8  N    2.445503   1.505754   0.000000
     9  N    4.476934   4.875404   4.235320   0.000000
    10  N    3.565088   3.927837   3.022363   3.104997   0.000000
    11  C    4.772377   4.768616   3.530124   3.959025   1.505347
    12  H    2.158976   1.090554   2.145177   5.918166   4.596540
    13  H    2.161154   1.090382   2.112443   5.002275   4.686922
    14  H    1.090465   2.159211   3.410790   5.238724   4.584981
    15  H    1.090465   2.160095   2.744714   4.792358   3.187579
    16  H    5.720488   5.548000   5.238919   3.410713   5.925321
    17  H    5.829937   5.560455   4.792861   2.743727   5.034478
    18  H    6.026421   6.369884   5.917983   2.145150   5.249726
    19  H    4.593208   5.093168   5.001107   2.112717   4.772036
    20  H    5.324916   5.606856   4.750377   1.019890   3.322557
    21  H    4.539129   5.227962   4.745834   1.019927   3.155099
    22  H    3.618811   3.298372   3.296303   3.363931   4.759410
    23  H    4.465565   3.746422   3.146271   3.605376   4.732226
    24  H    2.070456   2.825548   3.362727   3.296106   4.016882
    25  H    2.072776   3.314561   3.605750   3.145683   3.099261
    26  H    2.806144   2.070308   1.019849   4.749793   2.802798
    27  H    3.315904   2.070426   1.019917   4.745617   3.808751
    28  C    5.510544   5.336135   3.956887   3.532204   2.444866
    29  N    4.886330   4.478331   3.102997   3.023968   2.773732
    30  H    3.171582   3.678095   3.032674   3.909889   1.019628
    31  H    4.100544   4.711735   3.942204   2.893994   1.020098
    32  H    4.684269   4.426861   3.145838   4.715335   2.115855
    33  H    5.540697   5.686080   4.534133   4.640673   2.145132
    34  H    6.424596   6.095610   4.638361   4.536195   3.410180
    35  H    5.949205   5.982229   4.713373   3.147930   2.741840
    36  H    5.620751   5.205036   3.908238   3.034735   3.626900
    37  H    5.051012   4.353794   2.891427   3.943582   3.324293
                   11         12         13         14         15
    11  C    0.000000
    12  H    5.293884   0.000000
    13  H    5.521730   1.757935   0.000000
    14  H    5.840009   2.536417   2.496342   0.000000
    15  H    4.371980   2.493527   3.071156   1.756604   0.000000
    16  H    6.585975   6.568385   4.976592   6.176629   6.548135
    17  H    5.370141   6.564962   5.250865   6.548096   6.449921
    18  H    6.009073   7.458501   6.174099   6.566868   6.563483
    19  H    5.854544   6.173256   4.853678   4.974528   5.248669
    20  H    3.822729   6.614257   5.771359   6.157698   5.548446
    21  H    4.199761   6.241260   5.454716   5.215611   4.726956
    22  H    5.603786   4.298829   2.676103   4.065635   4.548252
    23  H    5.146902   4.635408   3.262309   5.144845   5.226707
    24  H    5.329058   3.808075   2.733627   2.310060   2.922308
    25  H    4.579955   4.171822   3.715496   2.516330   2.292685
    26  H    3.088421   2.319441   2.926110   3.792678   2.707479
    27  H    4.028445   2.501428   2.298421   4.173440   3.709480
    28  C    1.509478   6.006186   5.853460   6.584594   5.368518
    29  N    2.444747   5.247742   4.771378   5.924137   5.033330
    30  H    2.074647   4.174556   4.590974   4.133985   2.525781
    31  H    2.068620   5.435312   5.417209   5.023098   3.705458
    32  H    1.090741   4.764641   5.236044   5.750214   4.256178
    33  H    1.090528   6.142829   6.504797   6.567556   4.985537
    34  H    2.159245   6.666062   6.604577   7.510548   6.254881
    35  H    2.158570   6.749800   6.451701   6.980262   5.822433
    36  H    3.319880   6.033529   5.330000   6.607921   5.877965
    37  H    2.795511   4.977038   4.628277   6.085126   5.211433
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756679   0.000000
    18  H    2.536187   2.493395   0.000000
    19  H    2.496780   3.071101   1.757934   0.000000
    20  H    3.791541   2.705384   2.319113   2.926182   0.000000
    21  H    4.173716   3.708482   2.501039   2.299192   1.613333
    22  H    2.309800   2.922212   3.808312   2.734208   4.095284
    23  H    2.516558   2.292508   4.171686   3.715508   3.988405
    24  H    4.064226   4.546680   4.297067   2.674044   4.291281
    25  H    5.143375   5.225267   4.632869   3.259151   4.061880
    26  H    6.157400   5.548061   6.613605   5.770000   5.165743
    27  H    5.215278   4.727389   6.240922   5.453208   5.162822
    28  C    5.841741   4.373894   5.297587   5.523487   3.092295
    29  N    4.586592   3.189779   4.599633   4.688230   2.805497
    30  H    6.608372   5.878622   6.034792   5.329811   4.259444
    31  H    6.086993   5.212866   4.979766   4.629866   3.042581
    32  H    6.981278   5.824048   6.752274   6.452270   4.677164
    33  H    7.512125   6.256531   6.669354   6.606014   4.407727
    34  H    6.569404   4.987783   6.146959   6.506698   3.991519
    35  H    5.752019   4.257535   4.768773   5.238414   2.485876
    36  H    4.136451   2.528745   4.178950   4.593587   2.616477
    37  H    5.024592   3.708140   5.438184   5.417972   3.801433
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.040492   0.000000
    23  H    4.518861   1.610765   0.000000
    24  H    3.377448   2.356110   3.688687   0.000000
    25  H    2.838999   3.689403   4.704064   1.610831   0.000000
    26  H    5.162511   4.291429   4.061660   4.094817   3.989607
    27  H    5.402412   3.376287   2.838895   4.038404   4.518733
    28  C    4.029978   5.329548   4.578991   5.603145   5.147402
    29  N    3.809880   4.016970   3.098237   4.758196   4.732173
    30  H    3.836604   5.169483   5.297788   4.089544   3.015589
    31  H    2.661372   5.185219   5.292226   4.245977   3.105991
    32  H    5.040920   5.749043   5.196928   5.573158   4.961987
    33  H    4.707417   6.617887   6.210075   6.153648   5.196236
    34  H    5.070628   6.153780   5.195018   6.617028   6.210565
    35  H    3.530327   5.574019   4.960863   5.748948   5.197540
    36  H    3.931822   4.090065   3.014402   5.168963   5.298130
    37  H    4.746733   4.245266   3.104929   5.183199   5.291761
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613408   0.000000
    28  C    3.818659   4.197954   0.000000
    29  N    3.318925   3.153220   1.505301   0.000000
    30  H    2.613939   3.930236   3.319944   3.626513   0.000000
    31  H    3.798915   4.745764   2.796003   3.324769   1.611283
    32  H    2.481945   3.528773   2.158355   2.741458   2.314958
    33  H    3.987773   5.069094   2.159330   3.410131   2.499653
    34  H    4.403346   4.705415   1.090535   2.145093   4.178683
    35  H    4.673417   5.039150   1.090711   2.115701   3.706076
    36  H    4.256091   3.834741   2.074502   1.019645   4.543067
    37  H    3.038327   2.658918   2.068536   1.020118   4.005094
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.930250   0.000000
    33  H    2.322418   1.757982   0.000000
    34  H    3.784159   2.491662   2.536454   0.000000
    35  H    2.691970   3.068191   2.492098   1.757973   0.000000
    36  H    4.006164   3.705562   4.178703   2.499236   2.314849
    37  H    4.055449   2.691030   3.783747   2.322431   2.930145
                   36         37
    36  H    0.000000
    37  H    1.611239   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.63D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549129   -1.314430   -0.788263
      2          6           0       -2.489209   -1.476017    0.711136
      3          7           0       -1.044479   -1.454431    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979013   -1.499358   -1.135079
      6          6           0        2.421774   -1.582911   -0.710906
      7          6           0        2.489664   -1.422617    0.788334
      8          7           0        1.765206   -0.157325    1.164490
      9          7           0       -1.771326   -0.081267   -1.164692
     10          7           0        0.846353    1.588229   -1.125363
     11          6           0        0.738351    2.867166   -0.338772
     12          1           0        3.522738   -1.386980    1.135893
     13          1           0        2.001305   -2.252119    1.300550
     14          1           0        2.857267   -2.531087   -1.027803
     15          1           0        2.968217   -0.788602   -1.220402
     16          1           0       -2.965537   -2.404082    1.028788
     17          1           0       -3.001106   -0.658115    1.219196
     18          1           0       -3.579526   -1.235083   -1.136554
     19          1           0       -2.096289   -2.164485   -1.299497
     20          1           0       -2.362757    0.735147   -1.010250
     21          1           0       -1.609574   -0.093552   -2.171636
     22          1           0       -0.655835   -2.389232    1.013613
     23          1           0       -1.001112   -1.293217    2.142374
     24          1           0        0.550139   -2.416063   -1.010284
     25          1           0        0.941875   -1.338185   -2.141433
     26          1           0        2.390479    0.633402    1.009972
     27          1           0        1.602819   -0.162717    2.171382
     28          6           0       -0.610554    2.897131    0.338045
     29          7           0       -0.774947    1.624429    1.124896
     30          1           0        1.817283    1.452092   -1.405369
     31          1           0        0.343546    1.706576   -2.005010
     32          1           0        1.547067    2.884617    0.392932
     33          1           0        0.872022    3.729137   -0.993286
     34          1           0       -0.705739    3.764309    0.992421
     35          1           0       -1.417931    2.950176   -0.393378
     36          1           0       -1.750813    1.531989    1.405639
     37          1           0       -0.266810    1.720469    2.004222
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7011504           0.6913191           0.4695393
 Leave Link  202 at Fri Jul  9 00:27:36 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     28
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     29
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          1
                                   No pseudopotential on this center.
   13          1
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          6
                                   No pseudopotential on this center.
   29          7
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.2090739051 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0395098456 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1695640595 Hartrees.
 Leave Link  301 at Fri Jul  9 00:27:38 2021, MaxMem= 10737418240 cpu:              33.8 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29884 LenP2D=  115137.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.16D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul  9 00:27:40 2021, MaxMem= 10737418240 cpu:              24.9 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 00:27:41 2021, MaxMem= 10737418240 cpu:               3.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36b_RhEn3-lel2ob_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 00:27:43 2021, MaxMem= 10737418240 cpu:              19.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.884006154281    
 DIIS: error= 3.64D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.884006154281     IErMin= 1 ErrMin= 3.64D-02
 ErrMax= 3.64D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.77D-02 BMatP= 8.77D-02
 IDIUse=3 WtCom= 6.36D-01 WtEn= 3.64D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.385 Goal=   None    Shift=    0.000
 GapD=    0.385 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=2.69D-02 MaxDP=9.83D+00              OVMax= 2.04D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.24D-03    CP:  1.17D+00
 E= -680.887433353825     Delta-E=       -0.003427199543 Rises=F Damp=T
 DIIS: error= 2.75D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.887433353825     IErMin= 2 ErrMin= 2.75D-02
 ErrMax= 2.75D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-02 BMatP= 8.77D-02
 IDIUse=3 WtCom= 7.25D-01 WtEn= 2.75D-01
 Coeff-Com: -0.297D+01 0.397D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.216D+01 0.316D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=2.52D-02 MaxDP=9.37D+00 DE=-3.43D-03 OVMax= 1.03D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.17D-03    CP:  1.82D+00  3.00D+00
 E= -680.897396612606     Delta-E=       -0.009963258782 Rises=F Damp=F
 DIIS: error= 2.45D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.897396612606     IErMin= 3 ErrMin= 2.45D-03
 ErrMax= 2.45D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.74D-03 BMatP= 4.98D-02
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.45D-02
 Coeff-Com: -0.155D+01 0.205D+01 0.500D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.151D+01 0.200D+01 0.512D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.06D-04 MaxDP=8.79D-02 DE=-9.96D-03 OVMax= 9.60D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.81D-04    CP:  1.82D+00  3.00D+00  9.87D-01
 E= -680.898581690768     Delta-E=       -0.001185078161 Rises=F Damp=F
 DIIS: error= 3.06D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.898581690768     IErMin= 4 ErrMin= 3.06D-04
 ErrMax= 3.06D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.20D-05 BMatP= 1.74D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.06D-03
 Coeff-Com: -0.663D-01 0.858D-01 0.174D+00 0.806D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.661D-01 0.855D-01 0.174D+00 0.807D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=5.76D-04 MaxDP=2.23D-01 DE=-1.19D-03 OVMax= 1.38D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  8.41D-05    CP:  1.84D+00  3.00D+00  1.03D+00  7.53D-01
 E= -680.898634755684     Delta-E=       -0.000053064916 Rises=F Damp=F
 DIIS: error= 3.40D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.898634755684     IErMin= 5 ErrMin= 3.40D-05
 ErrMax= 3.40D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.94D-06 BMatP= 7.20D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D+00-0.215D+00-0.219D-02 0.208D+00 0.847D+00
 Coeff:      0.162D+00-0.215D+00-0.219D-02 0.208D+00 0.847D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.44D-04 MaxDP=5.59D-02 DE=-5.31D-05 OVMax= 4.17D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.84D-05    CP:  1.84D+00  3.00D+00  1.05D+00  6.97D-01  1.20D+00
 E= -680.898637214918     Delta-E=       -0.000002459234 Rises=F Damp=F
 DIIS: error= 1.27D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.898637214918     IErMin= 6 ErrMin= 1.27D-05
 ErrMax= 1.27D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.87D-07 BMatP= 1.94D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.584D-01-0.774D-01-0.131D-01 0.821D-02 0.327D+00 0.697D+00
 Coeff:      0.584D-01-0.774D-01-0.131D-01 0.821D-02 0.327D+00 0.697D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=8.24D-06 MaxDP=2.64D-03 DE=-2.46D-06 OVMax= 1.63D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.71D-06    CP:  1.84D+00  3.00D+00  1.05D+00  6.97D-01  1.23D+00
                    CP:  9.35D-01
 E= -680.898637533239     Delta-E=       -0.000000318322 Rises=F Damp=F
 DIIS: error= 4.34D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.898637533239     IErMin= 7 ErrMin= 4.34D-06
 ErrMax= 4.34D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.83D-08 BMatP= 2.87D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.127D-01 0.169D-01-0.761D-03-0.298D-01-0.487D-01 0.123D+00
 Coeff-Com:  0.952D+00
 Coeff:     -0.127D-01 0.169D-01-0.761D-03-0.298D-01-0.487D-01 0.123D+00
 Coeff:      0.952D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.98D-06 MaxDP=1.22D-03 DE=-3.18D-07 OVMax= 5.62D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.28D-06    CP:  1.84D+00  3.00D+00  1.05D+00  6.90D-01  1.24D+00
                    CP:  9.21D-01  9.67D-01
 E= -680.898637561390     Delta-E=       -0.000000028151 Rises=F Damp=F
 DIIS: error= 1.16D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.898637561390     IErMin= 8 ErrMin= 1.16D-06
 ErrMax= 1.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-09 BMatP= 1.83D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.763D-02 0.101D-01 0.419D-03-0.128D-01-0.372D-01 0.463D-02
 Coeff-Com:  0.323D+00 0.719D+00
 Coeff:     -0.763D-02 0.101D-01 0.419D-03-0.128D-01-0.372D-01 0.463D-02
 Coeff:      0.323D+00 0.719D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.73D-06 MaxDP=6.75D-04 DE=-2.82D-08 OVMax= 1.08D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.59D-07    CP:  1.84D+00  3.00D+00  1.05D+00  6.89D-01  1.24D+00
                    CP:  9.27D-01  9.92D-01  1.06D+00
 E= -680.898637563490     Delta-E=       -0.000000002100 Rises=F Damp=F
 DIIS: error= 2.83D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.898637563490     IErMin= 9 ErrMin= 2.83D-07
 ErrMax= 2.83D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.01D-11 BMatP= 1.88D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.307D-03 0.406D-03 0.216D-03 0.896D-04-0.229D-02-0.896D-02
 Coeff-Com: -0.250D-01 0.144D+00 0.891D+00
 Coeff:     -0.307D-03 0.406D-03 0.216D-03 0.896D-04-0.229D-02-0.896D-02
 Coeff:     -0.250D-01 0.144D+00 0.891D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.53D-07 MaxDP=1.69D-04 DE=-2.10D-09 OVMax= 3.29D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.11D-07    CP:  1.84D+00  3.00D+00  1.05D+00  6.88D-01  1.24D+00
                    CP:  9.26D-01  9.86D-01  1.10D+00  9.66D-01
 E= -680.898637563656     Delta-E=       -0.000000000166 Rises=F Damp=F
 DIIS: error= 6.79D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.898637563656     IErMin=10 ErrMin= 6.79D-08
 ErrMax= 6.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-12 BMatP= 8.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.342D-03-0.454D-03-0.119D-04 0.632D-03 0.171D-02-0.902D-03
 Coeff-Com: -0.168D-01-0.250D-01 0.271D-01 0.101D+01
 Coeff:      0.342D-03-0.454D-03-0.119D-04 0.632D-03 0.171D-02-0.902D-03
 Coeff:     -0.168D-01-0.250D-01 0.271D-01 0.101D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.95D-08 MaxDP=2.93D-05 DE=-1.66D-10 OVMax= 9.85D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.39D-08    CP:  1.84D+00  3.00D+00  1.05D+00  6.88D-01  1.24D+00
                    CP:  9.26D-01  9.86D-01  1.11D+00  9.74D-01  1.19D+00
 E= -680.898637563687     Delta-E=       -0.000000000031 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -680.898637563687     IErMin=11 ErrMin= 2.69D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.91D-13 BMatP= 1.67D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.787D-04-0.104D-03-0.171D-04 0.120D-03 0.453D-03 0.326D-03
 Coeff-Com: -0.165D-02-0.127D-01-0.426D-01 0.210D+00 0.846D+00
 Coeff:      0.787D-04-0.104D-03-0.171D-04 0.120D-03 0.453D-03 0.326D-03
 Coeff:     -0.165D-02-0.127D-01-0.426D-01 0.210D+00 0.846D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.23D-08 MaxDP=4.43D-06 DE=-3.09D-11 OVMax= 4.00D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.05D-09    CP:  1.84D+00  3.00D+00  1.05D+00  6.88D-01  1.24D+00
                    CP:  9.26D-01  9.86D-01  1.11D+00  9.73D-01  1.19D+00
                    CP:  1.06D+00
 E= -680.898637563709     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 1.75D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -680.898637563709     IErMin=12 ErrMin= 1.75D-08
 ErrMax= 1.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.62D-13 BMatP= 3.91D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.483D-04 0.642D-04-0.609D-05-0.103D-03-0.208D-03 0.416D-03
 Coeff-Com:  0.355D-02-0.269D-03-0.297D-01-0.153D+00 0.431D+00 0.749D+00
 Coeff:     -0.483D-04 0.642D-04-0.609D-05-0.103D-03-0.208D-03 0.416D-03
 Coeff:      0.355D-02-0.269D-03-0.297D-01-0.153D+00 0.431D+00 0.749D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=6.60D-09 MaxDP=2.30D-06 DE=-2.18D-11 OVMax= 3.12D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.92D-09    CP:  1.84D+00  3.00D+00  1.05D+00  6.88D-01  1.24D+00
                    CP:  9.26D-01  9.86D-01  1.11D+00  9.73D-01  1.20D+00
                    CP:  1.16D+00  1.07D+00
 E= -680.898637563568     Delta-E=        0.000000000141 Rises=F Damp=F
 DIIS: error= 7.61D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -680.898637563709     IErMin=13 ErrMin= 7.61D-09
 ErrMax= 7.61D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-14 BMatP= 1.62D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-04 0.231D-04 0.488D-05-0.297D-04-0.105D-03-0.743D-04
 Coeff-Com:  0.318D-03 0.286D-02 0.962D-02-0.484D-01-0.198D+00 0.746D-02
 Coeff-Com:  0.123D+01
 Coeff:     -0.174D-04 0.231D-04 0.488D-05-0.297D-04-0.105D-03-0.743D-04
 Coeff:      0.318D-03 0.286D-02 0.962D-02-0.484D-01-0.198D+00 0.746D-02
 Coeff:      0.123D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.29D-09 MaxDP=6.48D-07 DE= 1.41D-10 OVMax= 2.35D-07

 SCF Done:  E(RwB97XD) =  -680.898637564     A.U. after   13 cycles
            NFock= 13  Conv=0.23D-08     -V/T= 2.1213
 KE= 6.072245067962D+02 PE=-3.904301950364D+03 EE= 1.418009241945D+03
 Leave Link  502 at Fri Jul  9 00:43:39 2021, MaxMem= 10737418240 cpu:           15286.4 elap:             956.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.30608324D+03

 Leave Link  801 at Fri Jul  9 00:43:40 2021, MaxMem= 10737418240 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 2.78D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.50D-01 5.02D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 4.64D-02 5.66D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 7.54D-03 1.66D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 1.08D-03 7.38D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 1.41D-04 3.13D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 2.22D-05 1.19D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 1.19D-06 1.55D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 4.74D-08 4.17D-05.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 2.23D-09 1.17D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 8.21D-11 1.72D-06.
      9 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 2.15D-12 3.02D-07.
      4 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 6.83D-14 5.55D-08.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 2.63D-14 1.24D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.153351D+03
      2 -0.459307D-02  0.152190D+03
      3 -0.466385D-01 -0.151781D-02  0.124102D+03
 Isotropic polarizability for W=    0.085645      143.21 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.626249D+01 -0.969860D+02 -0.216208D+00
      2   0.638859D+01  0.103326D+03  0.198526D+00
      3  -0.126096D+00 -0.633997D+01  0.176821D-01
      4  -0.940439D+02  0.646275D+01 -0.493512D+01
      5  -0.185230D+00  0.169383D+01 -0.225541D+00
      6  -0.100062D+02  0.164230D+00 -0.961225D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.123820D+01  0.107075D+00  0.190326D+01
      2   0.622642D-01  0.299769D+01 -0.278929D-01
      3   0.254151D+01 -0.124290D+00 -0.498942D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.662894D+01 -0.342961D-01  0.327228D+01
      2  -0.309783D-01  0.507112D+01 -0.994440D-01
      3   0.294211D+01 -0.741627D-01 -0.117001D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.661369D+00 -0.504940D-01 -0.334394D+00
      2  -0.504940D-01 -0.184603D+01  0.163449D-01
      3  -0.334394D+00  0.163449D-01 -0.204527D+01
 OR G Eigenvalues:    -2.0864    -1.8467     0.7031  Iso=     1.0766
 Eigenvectors:
   (1)   0.119932  -0.042254   0.991882
   (2)   0.025375   0.998898   0.039484
   (3)   0.992458  -0.020434  -0.120872
 w=    0.085645 a.u., Optical Rotation Beta=      1.0766 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      180.30 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.21D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.53D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.36D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 6.71D-01 3.17D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.32D-02 2.27D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 4.91D-04 3.40D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 1.57D-05 4.31D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 2.36D-07 9.04D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 3.45D-09 1.26D-05.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 3.66D-11 1.03D-06.
     29 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 3.97D-13 8.76D-08.
      7 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 7.39D-15 7.69D-09.
      1 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 1.28D-15 3.22D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   277 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.34D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.34D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.94D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153351D+03 -0.459307D-02 -0.466385D-01
      2  -0.459307D-02  0.152190D+03 -0.151781D-02
      3  -0.466385D-01 -0.151781D-02  0.124102D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.123820D+01  0.107075D+00  0.190326D+01
      2   0.622642D-01  0.299769D+01 -0.278929D-01
      3   0.254151D+01 -0.124290D+00 -0.498942D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.626249D+01 -0.969860D+02 -0.216208D+00
      2   0.638859D+01  0.103326D+03  0.198526D+00
      3  -0.126096D+00 -0.633997D+01  0.176821D-01
      4  -0.940439D+02  0.646275D+01 -0.493512D+01
      5  -0.185230D+00  0.169383D+01 -0.225541D+00
      6  -0.100062D+02  0.164230D+00 -0.961225D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.763355D+01  0.669965D+00  0.388573D+01 -0.123306D+01 -0.301928D+01
      2   0.669965D+00 -0.258678D+01  0.167151D-01 -0.301928D+01  0.502192D+00
      3   0.388573D+01  0.167151D-01  0.450540D+00 -0.760939D+00  0.217101D+01
                 6             7             8             9            10 
      1  -0.760939D+00  0.325117D+01 -0.224133D+00  0.622395D+00 -0.158430D+01
      2   0.217101D+01 -0.224133D+00  0.165570D+01  0.114560D+01  0.663836D+00
      3   0.968421D+00  0.622395D+00  0.114560D+01 -0.704480D+00 -0.236271D+01
                11            12            13            14            15 
      1   0.663836D+00 -0.236271D+01  0.208296D+01  0.528357D+01 -0.854532D+00
      2   0.395351D+01 -0.617408D-01  0.528357D+01  0.265698D+01 -0.347292D+01
      3  -0.617408D-01  0.824065D+00 -0.854532D+00 -0.347292D+01 -0.304554D+00
                16            17            18            19            20 
      1  -0.192441D+01 -0.494141D+00  0.112516D+01 -0.184587D+01 -0.350198D+01
      2  -0.494141D+00 -0.278082D+01 -0.203151D+00 -0.350198D+01 -0.578379D+01
      3   0.112516D+01 -0.203151D+00  0.783999D+00  0.319198D+01  0.222464D+01
                21            22            23            24            25 
      1   0.319198D+01 -0.160945D+01 -0.386089D+01  0.117745D+01  0.184603D+01
      2   0.222464D+01 -0.386089D+01 -0.245591D+01  0.252248D+01  0.108468D+01
      3  -0.118898D+01  0.117745D+01  0.252248D+01 -0.148670D+01 -0.997433D+00
                26            27            28            29            30 
      1   0.108468D+01 -0.997433D+00  0.174834D+00  0.158779D+01  0.126067D-01
      2   0.272308D+01 -0.169104D+01  0.158779D+01 -0.111108D+00 -0.159022D+01
      3  -0.169104D+01 -0.168257D+01  0.126067D-01 -0.159022D+01  0.299651D-01
                31            32            33            34            35 
      1   0.151953D+01 -0.110661D+00  0.188617D+01  0.299876D-01 -0.305707D-01
      2  -0.110661D+00 -0.196426D+01  0.125208D-01 -0.305707D-01  0.113387D-01
      3   0.188617D+01  0.125208D-01  0.185022D+00  0.336025D-01  0.106852D+00
                36            37            38            39            40 
      1   0.336025D-01  0.149065D+01 -0.315134D+01 -0.303804D+01 -0.133432D+01
      2   0.106852D+00 -0.315134D+01  0.597098D+01  0.224829D+01  0.396267D+01
      3   0.949008D-02 -0.303804D+01  0.224829D+01  0.112481D+01  0.119798D+01
                41            42            43            44            45 
      1   0.396267D+01  0.119798D+01 -0.175774D+01  0.103834D+01  0.916154D+00
      2  -0.309906D+01 -0.268955D+01  0.103834D+01 -0.283347D+01 -0.173005D+01
      3  -0.268955D+01 -0.153732D+01  0.916154D+00 -0.173005D+01  0.168305D+01
                46            47            48            49            50 
      1   0.173244D+01  0.187090D+00  0.232053D+01  0.153530D+01 -0.523431D+01
      2   0.187090D+00 -0.387794D+01 -0.684548D-02 -0.523431D+01  0.328609D+01
      3   0.232053D+01 -0.684548D-02 -0.841154D+00 -0.795546D+00  0.350925D+01
                51            52            53            54            55 
      1  -0.795546D+00  0.185899D+01 -0.448910D+00 -0.112725D+01 -0.758360D+01
      2   0.350925D+01 -0.448910D+00  0.283325D+01 -0.165302D+00  0.122825D+01
      3  -0.277429D+00 -0.112725D+01 -0.165302D+00 -0.793778D+00 -0.390481D+01
                56            57            58            59            60 
      1   0.122825D+01 -0.390481D+01 -0.624508D+00  0.301733D+01 -0.683360D+00
      2   0.252591D+01  0.831534D-01  0.301733D+01  0.147202D+00 -0.214183D+01
      3   0.831534D-01 -0.397965D+00 -0.683360D+00 -0.214183D+01  0.991502D+00
                61            62            63            64            65 
      1  -0.324659D+01 -0.160762D+00 -0.563396D+00  0.873817D+01 -0.125166D+01
      2  -0.160762D+00 -0.163183D+01  0.117403D+01 -0.125166D+01 -0.151209D+01
      3  -0.563396D+00  0.117403D+01  0.709317D+00  0.446873D+01 -0.543681D+00
                66            67            68            69            70 
      1   0.446873D+01 -0.394246D+01 -0.751173D+00 -0.169138D+01  0.361475D+01
      2  -0.543681D+00 -0.751173D+00 -0.331932D+00  0.162626D+01  0.115786D-01
      3   0.210994D+01 -0.169138D+01  0.162626D+01 -0.562488D+00  0.208225D+01
                71            72            73            74            75 
      1   0.115786D-01  0.208225D+01 -0.905750D+01 -0.783843D+00 -0.458625D+01
      2   0.112522D+01 -0.185840D+00 -0.783843D+00  0.155870D+01 -0.420410D+00
      3  -0.185840D+00 -0.163669D+01 -0.458625D+01 -0.420410D+00 -0.215125D+01
                76            77            78            79            80 
      1  -0.346035D+01  0.944406D+00 -0.155028D+01 -0.365828D+01  0.113454D+00
      2   0.944406D+00 -0.441786D+00 -0.153278D+01  0.113454D+00 -0.113948D+01
      3  -0.155028D+01 -0.153278D+01 -0.458059D+00 -0.211222D+01 -0.925800D-01
                81            82            83            84            85 
      1  -0.211222D+01 -0.527047D+00  0.154691D+01  0.924001D+00  0.234538D+01
      2  -0.925800D-01  0.154691D+01  0.158753D+01 -0.107051D+01  0.400862D+01
      3   0.161957D+01  0.924001D+00 -0.107051D+01  0.130272D+01 -0.170185D+01
                86            87            88            89            90 
      1   0.400862D+01 -0.170185D+01  0.345268D+00 -0.100084D+01  0.206024D+01
      2   0.734714D+01 -0.481801D+01 -0.100084D+01 -0.300993D+01  0.844817D+00
      3  -0.481801D+01  0.105650D+01  0.206024D+01  0.844817D+00  0.619158D+00
                91            92            93            94            95 
      1  -0.107433D+01 -0.416082D+00 -0.238179D+01 -0.690344D+00 -0.187133D+01
      2  -0.416082D+00 -0.641075D+00  0.526761D+00 -0.187133D+01 -0.357840D+01
      3  -0.238179D+01  0.526761D+00 -0.151565D+01  0.498707D+00  0.445137D+01
                96            97            98            99           100 
      1   0.498707D+00 -0.294220D+01  0.115837D+01 -0.203643D+01  0.107020D+02
      2   0.445137D+01  0.115837D+01  0.619769D+01 -0.180831D+01 -0.207457D+01
      3  -0.839750D+00 -0.203643D+01 -0.180831D+01  0.194098D+00  0.316139D+01
               101           102           103           104           105 
      1  -0.207457D+01  0.316139D+01  0.180212D+00  0.977540D+00  0.316706D+00
      2   0.138095D+01 -0.517152D+00  0.977540D+00 -0.773348D+00  0.675472D+00
      3  -0.517152D+00  0.213293D+01  0.316706D+00  0.675472D+00 -0.190701D+00
               106           107           108           109           110 
      1   0.298004D+01 -0.550187D+00  0.242010D+01 -0.486512D+00 -0.784725D+00
      2  -0.550187D+00  0.625341D+00 -0.728060D+00 -0.784725D+00 -0.144284D+01
      3   0.242010D+01 -0.728060D+00  0.157128D+01  0.977778D+00  0.533816D+00
               111           112           113           114           115 
      1   0.977778D+00 -0.101555D+01 -0.213677D+00  0.104424D+00  0.121906D+01
      2   0.533816D+00 -0.213677D+00 -0.437170D+01  0.209506D+01 -0.209566D+00
      3  -0.874132D+00  0.104424D+00  0.209506D+01 -0.215045D+01  0.105487D-01
               116           117           118           119           120 
      1  -0.209566D+00  0.105487D-01  0.352852D+01 -0.245631D+01 -0.117213D+01
      2   0.193060D+01 -0.174622D+01 -0.245631D+01  0.260273D+01  0.583349D+00
      3  -0.174622D+01  0.220551D+01 -0.117213D+01  0.583349D+00  0.106473D+01
               121           122           123           124           125 
      1  -0.387537D+01  0.444718D+01  0.136683D+01 -0.142573D+01  0.115811D+01
      2   0.444718D+01 -0.684639D+01 -0.239393D+01  0.115811D+01 -0.189634D+01
      3   0.136683D+01 -0.239393D+01 -0.168762D+01  0.162898D+01 -0.170910D+01
               126           127           128           129           130 
      1   0.162898D+01  0.308310D+01  0.971067D+00 -0.162133D+01  0.216691D+01
      2  -0.170910D+01  0.971067D+00  0.111555D+01 -0.449839D+00  0.137180D+01
      3  -0.135673D+01 -0.162133D+01 -0.449839D+00  0.153982D+01 -0.827474D+00
               131           132           133           134           135 
      1   0.137180D+01 -0.827474D+00 -0.197179D+01 -0.162216D+00  0.153024D+01
      2   0.202886D+01 -0.137618D+01 -0.162216D+00 -0.117258D+01  0.762950D+00
      3  -0.137618D+01  0.168246D+01  0.153024D+01  0.762950D+00 -0.208845D+01
               136           137           138           139           140 
      1  -0.393291D+01 -0.260086D+01  0.125926D+01 -0.409343D+01 -0.444711D+01
      2  -0.260086D+01 -0.266309D+01  0.634927D+00 -0.444711D+01 -0.634130D+01
      3   0.125926D+01  0.634927D+00 -0.113871D+01  0.141777D+01  0.230679D+01
               141           142           143           144           145 
      1   0.141777D+01  0.153613D+01  0.118138D+01 -0.170650D+01 -0.289900D+01
      2   0.230679D+01  0.118138D+01  0.179750D+01 -0.164055D+01  0.100586D+01
      3  -0.164051D+01 -0.170650D+01 -0.164055D+01  0.136357D+01  0.156760D+01
               146           147           148           149           150 
      1   0.100586D+01  0.156760D+01  0.220386D+01 -0.141850D+01 -0.835756D+00
      2  -0.111615D+01 -0.458379D+00 -0.141850D+01  0.213393D+01  0.142828D+01
      3  -0.458379D+00 -0.146108D+01 -0.835756D+00  0.142828D+01  0.174206D+01
               151           152           153           154           155 
      1   0.197377D+01 -0.189685D+00 -0.149398D+01 -0.108397D+02 -0.170997D+01
      2  -0.189685D+00  0.119060D+01  0.828422D+00 -0.170997D+01 -0.124755D+01
      3  -0.149398D+01  0.828422D+00  0.209037D+01 -0.316582D+01 -0.411551D+00
               156           157           158           159           160 
      1  -0.316582D+01  0.582018D+00 -0.934277D+00  0.427963D+00 -0.303501D+01
      2  -0.411551D+00 -0.934277D+00 -0.623510D+00 -0.671238D+00 -0.452087D+00
      3  -0.214011D+01  0.427963D+00 -0.671238D+00 -0.953548D-01 -0.245362D+01
               161           162           163           164           165 
      1  -0.452087D+00 -0.245362D+01  0.380269D+00 -0.737716D+00 -0.951827D+00
      2  -0.585775D+00 -0.624266D+00 -0.737716D+00  0.131773D+01  0.482472D+00
      3  -0.624266D+00 -0.157557D+01 -0.951827D+00  0.482472D+00  0.776765D+00
               166           167           168           169           170 
      1  -0.102727D+01  0.103059D+00  0.569159D-01 -0.124033D+01 -0.236969D+00
      2   0.103059D+00 -0.444928D+01 -0.211984D+01 -0.236969D+00 -0.191165D+01
      3   0.569159D-01 -0.211984D+01 -0.218354D+01 -0.851318D-01 -0.174350D+01
               171           172           173           174           175 
      1  -0.851318D-01 -0.229862D+01  0.168982D+01  0.122918D+00  0.353164D+01
      2  -0.174350D+01  0.168982D+01 -0.234129D+01  0.377233D+00 -0.141555D+01
      3  -0.220470D+01  0.122918D+00  0.377233D+00 -0.424842D+00  0.137457D+01
               176           177           178           179           180 
      1  -0.141555D+01  0.137457D+01  0.173646D+01  0.449602D+00  0.294028D+00
      2   0.326825D+01 -0.221468D+00  0.449602D+00  0.108430D+00  0.663357D+00
      3  -0.221468D+00  0.117556D+01  0.294028D+00  0.663357D+00 -0.181862D+00
               181           182           183           184           185 
      1   0.154171D+01  0.372549D+00  0.256746D+00 -0.865752D-01 -0.651090D+00
      2   0.372549D+00 -0.568598D+00  0.444686D-01 -0.651090D+00  0.109815D+00
      3   0.256746D+00  0.444686D-01  0.763583D+00  0.245530D-01 -0.778638D+00
               186           187           188           189           190 
      1   0.245530D-01 -0.187570D+01 -0.222658D+00 -0.130871D+01  0.149409D+01
      2  -0.778638D+00 -0.222658D+00 -0.105984D+01  0.655394D+00  0.194112D-02
      3   0.126073D+00 -0.130871D+01  0.655394D+00 -0.710532D+01 -0.662640D+00
               191           192           193           194           195 
      1   0.194112D-02 -0.662640D+00 -0.179946D+01  0.874780D+00 -0.694653D-01
      2   0.215249D+01 -0.104987D+01  0.874780D+00 -0.587282D+01  0.885326D+00
      3  -0.104987D+01  0.732525D+00 -0.694653D-01  0.885326D+00 -0.105054D+01
               196           197           198           199           200 
      1  -0.953483D+00 -0.935917D+00  0.669161D+00 -0.325790D+00  0.272064D+00
      2  -0.935917D+00 -0.793280D+00 -0.169763D+00  0.272064D+00  0.743760D+00
      3   0.669161D+00 -0.169763D+00  0.267879D+00  0.445437D+00 -0.391408D+00
               201           202           203           204           205 
      1   0.445437D+00  0.629860D+00  0.114983D+01 -0.487841D+00  0.144976D+01
      2  -0.391408D+00  0.114983D+01  0.261906D+00  0.901478D-01  0.483871D+00
      3   0.307413D+00 -0.487841D+00  0.901478D-01  0.633072D+00 -0.293047D+00
               206           207           208           209           210 
      1   0.483871D+00 -0.293047D+00 -0.158591D+01 -0.772922D-01  0.609991D+00
      2   0.140778D+01 -0.135610D+01 -0.772922D-01 -0.240622D+01 -0.111389D+01
      3  -0.135610D+01  0.698980D+01  0.609991D+00 -0.111389D+01 -0.777281D+00
               211           212           213           214           215 
      1  -0.181596D+01 -0.105050D+01 -0.133296D+00  0.874212D+00 -0.933515D+00
      2  -0.105050D+01 -0.568621D+01 -0.824874D+00 -0.933515D+00  0.882791D+00
      3  -0.133296D+00 -0.824874D+00 -0.101519D+01 -0.673953D+00 -0.140864D+00
               216           217           218           219           220 
      1  -0.673953D+00  0.370013D+00  0.173560D+00 -0.483187D+00  0.508539D+00
      2  -0.140864D+00  0.173560D+00 -0.751205D+00 -0.374369D+00 -0.116852D+01
      3  -0.263631D+00 -0.483187D+00 -0.374369D+00 -0.282317D+00 -0.469005D+00
               221           222           223           224           225 
      1  -0.116852D+01 -0.469005D+00 -0.140822D+01  0.485917D+00  0.229878D+00
      2   0.390348D+00 -0.543643D-01  0.485917D+00 -0.145481D+01 -0.137737D+01
      3  -0.543643D-01  0.636138D+00  0.229878D+00 -0.137737D+01 -0.698807D+01
               226           227           228           229           230 
      1   0.259115D+01  0.174523D+01 -0.505057D-01  0.355246D+01  0.128255D+01
      2   0.174523D+01  0.231252D+01  0.392275D+00  0.128255D+01  0.317994D+01
      3  -0.505057D-01  0.392275D+00  0.471420D+00  0.140502D+01  0.985901D-01
               231           232           233           234           235 
      1   0.140502D+01 -0.169601D+01  0.530730D+00 -0.269667D+00 -0.149864D+01
      2   0.985901D-01  0.530730D+00 -0.175919D+00  0.685182D+00  0.487802D+00
      3   0.117780D+01 -0.269667D+00  0.685182D+00  0.178275D+00 -0.249379D+00
               236           237           238           239           240 
      1   0.487802D+00 -0.249379D+00  0.329059D-01  0.636839D+00  0.670286D-01
      2   0.536580D+00  0.877669D-01  0.636839D+00  0.286903D-01  0.773835D+00
      3   0.877669D-01 -0.756453D+00  0.670286D-01  0.773835D+00  0.158025D+00
               241           242           243           244           245 
      1   0.185322D+01 -0.257314D+00  0.133544D+01  0.101407D+01 -0.357481D+00
      2  -0.257314D+00  0.108014D+01  0.597253D+00 -0.357481D+00  0.505940D+00
      3   0.133544D+01  0.597253D+00  0.710170D+01  0.241269D+01  0.213453D+00
               246           247           248           249           250 
      1   0.241269D+01 -0.568477D+00  0.177076D+01  0.204608D+00  0.302506D+01
      2   0.213453D+00  0.177076D+01 -0.373118D+01 -0.447817D+01  0.749936D+00
      3   0.147416D+01  0.204608D+00 -0.447817D+01 -0.898468D+00  0.195296D+01
               251           252           253           254           255 
      1   0.749936D+00  0.195296D+01  0.731056D+00  0.127931D+01 -0.103206D+01
      2  -0.630007D+01 -0.189969D+01  0.127931D+01 -0.142928D+01 -0.825202D+00
      3  -0.189969D+01 -0.196754D+00 -0.103206D+01 -0.825202D+00 -0.126519D+01
               256           257           258           259           260 
      1   0.199464D+01 -0.383666D+01 -0.144556D+01 -0.407199D+00 -0.858828D+00
      2  -0.383666D+01  0.776224D+01  0.494194D+01 -0.858828D+00  0.310898D+01
      3  -0.144556D+01  0.494194D+01  0.111890D+01 -0.203345D+01  0.939787D+00
               261           262           263           264           265 
      1  -0.203345D+01  0.535774D+01  0.621415D+00 -0.251830D+01 -0.474881D-01
      2   0.939787D+00  0.621415D+00  0.243684D+01 -0.550710D+00  0.158818D+00
      3  -0.609052D+00 -0.251830D+01 -0.550710D+00  0.198242D+01  0.448339D+00
               266           267           268           269           270 
      1   0.158818D+00  0.448339D+00 -0.163704D+01  0.237174D+00  0.113842D+01
      2  -0.121266D+01  0.682411D+00  0.237174D+00  0.455627D+00 -0.316553D-01
      3   0.682411D+00 -0.408005D+00  0.113842D+01 -0.316553D-01 -0.175329D+01
               271           272           273           274           275 
      1  -0.503403D+00 -0.569761D+00 -0.702118D+00  0.903283D-01 -0.911415D+00
      2  -0.569761D+00 -0.236359D+01  0.109605D+01 -0.911415D+00 -0.225575D+00
      3  -0.702118D+00  0.109605D+01 -0.203362D+01  0.442510D+00 -0.142201D+00
               276           277           278           279           280 
      1   0.442510D+00 -0.105003D+01 -0.637752D-01 -0.534571D+00  0.415773D+01
      2  -0.142201D+00 -0.637752D-01 -0.151683D+01  0.122334D+01  0.117188D+01
      3   0.468877D+00 -0.534571D+00  0.122334D+01 -0.558242D+01  0.163501D+01
               281           282           283           284           285 
      1   0.117188D+01  0.163501D+01  0.496465D+00  0.119753D+01  0.106426D+00
      2   0.209438D+01  0.401164D+00  0.119753D+01  0.850348D+00  0.311050D+00
      3   0.401164D+00  0.148430D+01  0.106426D+00  0.311050D+00  0.264476D+00
               286           287           288           289           290 
      1   0.262167D+01  0.487859D+00  0.174724D+01  0.969601D+00  0.168752D+01
      2   0.487859D+00  0.914013D+00  0.922345D+00  0.168752D+01  0.117728D+01
      3   0.174724D+01  0.922345D+00  0.217162D+01 -0.393926D+00 -0.539024D+00
               291           292           293           294           295 
      1  -0.393926D+00  0.151599D+01  0.170499D+01 -0.614043D+00 -0.460143D+00
      2  -0.539024D+00  0.170499D+01  0.908962D+01 -0.296439D+01 -0.130448D+01
      3   0.484400D+00 -0.614043D+00 -0.296439D+01  0.199464D+01  0.994979D+00
               296           297           298           299           300 
      1  -0.130448D+01  0.994979D+00 -0.757342D+00  0.161056D+01  0.349499D+00
      2  -0.508523D+01  0.311102D+01  0.161056D+01 -0.914069D+00 -0.420600D+00
      3   0.311102D+01 -0.254218D+01  0.349499D+00 -0.420600D+00 -0.393196D+00
               301           302           303           304           305 
      1   0.141332D+01 -0.143721D+01 -0.498277D+00  0.356356D+00 -0.109324D+01
      2  -0.143721D+01  0.926956D+01  0.300871D+01 -0.109324D+01  0.519732D+01
      3  -0.498277D+00  0.300871D+01  0.201322D+01 -0.855362D+00  0.315293D+01
               306           307           308           309           310 
      1  -0.855362D+00 -0.402520D+01  0.121894D+01 -0.160474D+01  0.576719D+00
      2   0.315293D+01  0.121894D+01 -0.211090D+01  0.473634D+00 -0.121105D+01
      3   0.254211D+01 -0.160474D+01  0.473634D+00 -0.146502D+01  0.172913D+00
               311           312           313           314           315 
      1  -0.121105D+01  0.172913D+00 -0.257138D+01  0.576607D+00 -0.169726D+01
      2   0.112100D+01 -0.311927D+00  0.576607D+00 -0.916364D+00  0.101372D+01
      3  -0.311927D+00  0.336884D+00 -0.169726D+01  0.101372D+01 -0.216518D+01
               316           317           318           319           320 
      1  -0.533289D+01  0.722978D+00  0.251001D+01  0.114096D+00 -0.265711D+00
      2   0.722978D+00 -0.250524D+01 -0.692187D+00 -0.265711D+00 -0.101324D+01
      3   0.251001D+01 -0.692187D+00 -0.200251D+01  0.307712D+00 -0.671397D+00
               321           322           323           324           325 
      1   0.307712D+00  0.164670D+01  0.126123D+00 -0.113982D+01  0.467829D+00
      2  -0.671397D+00  0.126123D+00 -0.495909D+00  0.191853D-01 -0.442731D+00
      3  -0.320863D+00 -0.113982D+01  0.191853D-01  0.175388D+01  0.769655D+00
               326           327           328           329           330 
      1  -0.442731D+00  0.769655D+00  0.150932D+00  0.916641D+00  0.414020D+00
      2   0.239944D+01  0.106742D+01  0.916641D+00 -0.415545D+00  0.732061D-01
      3   0.106742D+01  0.205296D+01  0.414020D+00  0.732061D-01  0.377916D+00
               331           332           333 
      1   0.104264D+01 -0.439561D-01  0.590023D+00
      2  -0.439561D-01  0.151472D+01  0.119722D+01
      3   0.590023D+00  0.119722D+01  0.557606D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753409D+00  0.246864D+01 -0.261834D+01  0.396326D+01  0.607733D+01
      2   0.888190D+00 -0.965931D+00  0.911199D+01 -0.183645D+01 -0.122207D+02
      3  -0.444535D+01 -0.104698D+02 -0.183050D+01 -0.731121D+01  0.407634D+01
                 6             7             8             9            10 
      1  -0.225759D+01 -0.717646D+00 -0.501450D+00 -0.165498D+01 -0.466089D+01
      2  -0.353812D+01  0.274053D+01  0.405160D+00  0.142531D+01  0.113898D+02
      3   0.845849D+01 -0.914214D+00  0.956558D+01  0.371925D+01  0.576364D+01
                11            12            13            14            15 
      1   0.400546D+01  0.610023D-01  0.392716D+01 -0.108145D+01 -0.737472D+01
      2  -0.264178D+01  0.389573D+01 -0.442713D+01  0.295179D+00  0.580577D+01
      3   0.716837D+01  0.682822D+01  0.988194D+01 -0.523266D+01 -0.586335D+01
                16            17            18            19            20 
      1  -0.114694D+01 -0.148746D+01  0.160606D+00  0.378979D-01 -0.913046D+00
      2   0.160790D+01  0.142305D+01 -0.166645D+01 -0.156434D+02 -0.919674D+01
      3   0.787949D+01 -0.580472D+01 -0.358032D+01 -0.183144D+02 -0.157329D+02
                21            22            23            24            25 
      1   0.667687D+01  0.776374D+01  0.220486D+02 -0.550176D+01  0.141210D+02
      2   0.178565D+01 -0.337528D+01  0.379428D+01 -0.510944D+01 -0.124396D+02
      3   0.615012D+01  0.645653D+01  0.217545D+02 -0.734954D+01  0.315439D+01
                26            27            28            29            30 
      1   0.188639D+02 -0.216416D+02 -0.165764D+00 -0.301802D+01 -0.583112D-03
      2  -0.114053D+02  0.119983D+02 -0.253363D+01  0.142144D+00 -0.444861D+01
      3  -0.986205D+00 -0.200086D+00 -0.406902D-01  0.740645D+01 -0.139230D-01
                31            32            33            34            35 
      1  -0.920684D+00  0.187048D+00  0.570007D+01 -0.625176D-02 -0.974928D+01
      2  -0.312062D-01  0.314552D+00  0.132016D+00  0.107526D+02  0.175484D+00
      3  -0.962886D+01 -0.898007D-01  0.118153D+01  0.117629D+00  0.100417D+01
                36            37            38            39            40 
      1   0.130790D+00 -0.354300D+00 -0.149560D+01 -0.678560D+01  0.683206D+01
      2  -0.150616D+00 -0.149647D+02  0.100437D+02  0.232739D+01  0.398236D+01
      3  -0.101327D+00  0.177513D+02 -0.174543D+02 -0.647527D+01  0.454422D+01
                41            42            43            44            45 
      1  -0.221274D+02 -0.494124D+01 -0.138090D+02  0.199863D+02  0.221170D+02
      2   0.407949D+01  0.516338D+01 -0.112674D+02  0.109802D+02  0.109533D+02
      3  -0.211117D+02 -0.693962D+01 -0.324538D+01 -0.747355D+00  0.259858D+00
                46            47            48            49            50 
      1   0.552662D+01  0.395847D+01 -0.245924D+00  0.388413D+01  0.764637D+00
      2   0.114781D+02  0.198513D+01  0.363442D+01  0.372020D+01  0.221435D-01
      3  -0.498450D+01  0.763428D+01 -0.709050D+01  0.102492D+02  0.446430D+01
                51            52            53            54            55 
      1  -0.762330D+01  0.114194D+01 -0.164575D+01 -0.249495D+00 -0.485695D+00
      2  -0.565982D+01  0.142978D+01 -0.143446D+01 -0.170848D+01  0.101438D+01
      3  -0.556559D+01 -0.806953D+01 -0.556049D+01  0.361165D+01  0.373039D+01
                56            57            58            59            60 
      1   0.224336D+01  0.290042D+01  0.373497D+01 -0.684602D+01 -0.223910D+01
      2   0.297599D+00  0.913813D+01  0.107796D+01 -0.120008D+02  0.324146D+01
      3  -0.108079D+02  0.222308D+01 -0.756826D+01 -0.335890D+01  0.837815D+01
                61            62            63            64            65 
      1   0.771322D+00 -0.538339D+00  0.170664D+01 -0.506310D+01 -0.999023D+01
      2   0.266013D+01 -0.470377D+00  0.135204D+01  0.207177D+02 -0.182331D+01
      3   0.137719D+01  0.948103D+01 -0.372759D+01  0.791847D+01  0.892054D+01
                66            67            68            69            70 
      1  -0.398364D+01 -0.190853D+02  0.347054D+01 -0.835563D+01 -0.205168D+01
      2   0.120801D+01  0.406185D+01  0.542856D+01  0.471155D+01 -0.280597D+02
      3   0.309901D+01  0.299678D+02 -0.393998D+01  0.921671D+01 -0.945958D+00
                71            72            73            74            75 
      1   0.233888D+01  0.316375D+00  0.475048D+01 -0.102035D+02  0.370093D+01
      2   0.332963D+01 -0.254882D+02  0.203181D+02  0.165101D+01  0.780433D+00
      3   0.379511D+01 -0.360113D-01 -0.632159D+01  0.932887D+01 -0.275201D+01
                76            77            78            79            80 
      1  -0.195360D+02 -0.205718D+01 -0.867042D+01  0.999603D+00  0.215965D+01
      2  -0.380573D+01  0.569954D+01 -0.439282D+01 -0.282952D+02 -0.226350D+01
      3   0.303505D+02  0.240198D+01  0.927001D+01  0.989945D+00  0.368996D+01
                81            82            83            84            85 
      1  -0.140996D+01 -0.398250D+01  0.307142D+01  0.175165D+01  0.338956D+01
      2  -0.254510D+02 -0.149650D+02 -0.145247D+02  0.133954D+02 -0.477252D+01
      3   0.418207D-01 -0.196778D+02 -0.226812D+02  0.142556D+02 -0.121760D+01
                86            87            88            89            90 
      1   0.173415D+02  0.207646D+01  0.893467D+01  0.245240D+02 -0.143088D+02
      2   0.810515D+00 -0.463775D+01 -0.377608D+01 -0.147369D+02  0.119080D+02
      3   0.143275D+02 -0.174385D+01  0.664851D+01 -0.175183D+01  0.321439D+01
                91            92            93            94            95 
      1   0.842505D+01  0.315002D+01  0.637028D+01  0.399848D+01 -0.113783D+02
      2  -0.214531D+01  0.850232D+00 -0.933259D-01 -0.475287D-01  0.260277D+01
      3  -0.579038D+01 -0.118920D+01 -0.665125D+01  0.432355D+01 -0.694801D+00
                96            97            98            99           100 
      1  -0.481405D+01  0.453072D+01 -0.353997D+01  0.186229D+01  0.133908D+01
      2  -0.410823D+00 -0.333627D+01  0.564489D+00 -0.283700D+00 -0.294989D+01
      3  -0.677420D+01 -0.111111D+02 -0.760459D+01 -0.529221D+01 -0.867101D+01
               101           102           103           104           105 
      1   0.188054D+01  0.307823D+01 -0.382699D+00  0.118414D+01 -0.107926D+01
      2   0.149065D+01  0.500486D+01 -0.204016D+01  0.184254D+01 -0.147000D+01
      3  -0.386758D+01 -0.356437D+01 -0.464606D+00 -0.580851D+00 -0.164168D+01
               106           107           108           109           110 
      1   0.209619D+01  0.102342D+01  0.134139D+01  0.141706D+01 -0.143528D+01
      2   0.200938D+01 -0.501445D+00  0.235936D+01  0.490984D+01  0.230062D+01
      3  -0.154034D+01 -0.267489D+01 -0.105993D+01  0.515007D+01  0.557221D+01
               111           112           113           114           115 
      1  -0.191685D+01 -0.344928D+00 -0.142372D+01 -0.302462D+01 -0.321717D+00
      2  -0.357395D+01  0.153007D+01  0.647962D+01 -0.619806D+01 -0.327916D+01
      3  -0.358922D+01  0.496580D+01  0.126308D+02 -0.631454D+01 -0.199827D+01
               116           117           118           119           120 
      1   0.150987D+00  0.222408D+01 -0.731353D+00 -0.217304D+00  0.210942D+01
      2  -0.485542D+01  0.595298D+01 -0.113248D+01  0.815032D+00  0.370864D+01
      3  -0.537690D+01  0.562976D+01  0.490618D+00 -0.394897D+01 -0.115957D+00
               121           122           123           124           125 
      1  -0.249053D+01  0.266918D+01 -0.257319D+01  0.123468D+01 -0.397780D+00
      2  -0.277652D+01 -0.766171D+00 -0.379478D+01  0.853499D+00 -0.278977D+01
      3  -0.586596D+00  0.929491D+01  0.388395D+01  0.159285D+01  0.253329D+01
               126           127           128           129           130 
      1  -0.138365D+01 -0.425126D+01 -0.172634D+01  0.270737D+01 -0.263511D+01
      2  -0.207426D+01 -0.215025D+01  0.251284D+00  0.375535D+01  0.928138D+00
      3   0.103743D+01 -0.740322D+01 -0.613290D+01  0.423624D+01 -0.640630D+01
               131           132           133           134           135 
      1  -0.587620D+01  0.367429D+01  0.264131D+01  0.435341D+01 -0.412854D+01
      2  -0.339253D+01  0.550791D+01  0.123682D+01  0.256319D+01 -0.470403D+01
      3  -0.112506D+02  0.586620D+01  0.391676D+01  0.437641D+01 -0.562555D+01
               136           137           138           139           140 
      1   0.561230D+00 -0.379679D+00 -0.204769D+01 -0.250652D+01 -0.258629D+01
      2  -0.105410D+01 -0.797846D+00  0.396604D+01  0.288355D+01 -0.741445D+00
      3  -0.678475D+00 -0.431071D+01  0.290986D+00 -0.977900D+00 -0.908573D+01
               141           142           143           144           145 
      1  -0.231747D+01 -0.119934D+01 -0.224802D+00  0.130718D+01  0.399983D+01
      2   0.373462D+01  0.101770D+01  0.275822D+01 -0.215198D+01 -0.241948D+01
      3   0.387347D+01 -0.147673D+01  0.258413D+01 -0.104462D+01  0.692603D+01
               146           147           148           149           150 
      1  -0.166872D+01 -0.237986D+01 -0.258392D+01  0.576601D+01  0.352495D+01
      2  -0.263604D+00  0.360275D+01 -0.921953D+00 -0.357058D+01 -0.580643D+01
      3  -0.598592D+01 -0.397616D+01 -0.621973D+01  0.115004D+02  0.603537D+01
               151           152           153           154           155 
      1  -0.238061D+01  0.435646D+01  0.391430D+01 -0.140168D+01  0.182266D+01
      2   0.118768D+01 -0.282738D+01 -0.490123D+01 -0.284166D+01 -0.135660D+01
      3  -0.370959D+01  0.456178D+01  0.562472D+01  0.845808D+01 -0.419850D+01
               156           157           158           159           160 
      1  -0.290266D+01 -0.307710D+00 -0.120045D+01 -0.890021D+00 -0.194524D+01
      2   0.519759D+01  0.228567D+01  0.188600D+01  0.128667D+01  0.210389D+01
      3   0.348527D+01 -0.770072D+00  0.842995D+00 -0.179402D+01  0.140137D+01
               161           162           163           164           165 
      1   0.113944D+01 -0.124324D+01 -0.128223D+01 -0.140847D+01  0.163530D+01
      2   0.354241D+00  0.242927D+01  0.482082D+01 -0.216720D+01 -0.337023D+01
      3  -0.275107D+01  0.106201D+01 -0.472343D+01  0.524562D+01  0.331486D+01
               166           167           168           169           170 
      1  -0.281397D+00  0.178573D+01 -0.282970D+01  0.194412D+00  0.351521D+00
      2  -0.146772D+01  0.658307D+01  0.647382D+01 -0.308730D+01  0.498340D+01
      3   0.466619D+01 -0.130944D+02 -0.647305D+01  0.177629D+01 -0.546628D+01
               171           172           173           174           175 
      1  -0.197047D+01 -0.195304D+01  0.290550D+01 -0.771085D-01  0.467343D+01
      2   0.603985D+01 -0.141359D+01  0.180597D+01  0.200432D+01  0.562133D+01
      3  -0.562697D+01  0.250528D+01 -0.496349D+01  0.209054D+00 -0.456335D+01
               176           177           178           179           180 
      1  -0.682432D+01  0.548788D+00  0.185029D+01 -0.484104D+00 -0.104597D+00
      2  -0.148274D+01  0.311743D+00  0.367109D+01 -0.114625D+01  0.784517D+00
      3   0.940018D+01 -0.182059D+01 -0.135625D+01  0.185558D+01  0.205378D+00
               181           182           183           184           185 
      1  -0.198938D+01 -0.843491D+00 -0.928554D+00 -0.193075D+00 -0.602620D+00
      2  -0.685547D+00  0.640577D+00 -0.386652D+01 -0.689829D+00  0.194439D+01
      3   0.150789D+01  0.544234D-01  0.446164D+00  0.925132D+00  0.543235D+00
               186           187           188           189           190 
      1   0.679160D+00  0.927865D+00  0.272429D+01 -0.599388D+00  0.852475D+00
      2  -0.458195D+00  0.336869D+00 -0.222718D+01  0.157018D+02 -0.289891D+01
      3  -0.158404D+01 -0.123052D+01 -0.232562D+01  0.164355D+01 -0.348033D+01
               191           192           193           194           195 
      1   0.516761D+01 -0.118295D+01  0.117664D+01 -0.708024D+01 -0.115086D+01
      2   0.209267D+01  0.794361D-01  0.262597D+01 -0.323405D+01  0.133792D+01
      3   0.514371D+01 -0.181286D+01  0.536147D+01 -0.888226D+01  0.143701D+01
               196           197           198           199           200 
      1  -0.817182D+00 -0.367804D+01  0.161161D+00  0.105472D+00 -0.181588D+01
      2  -0.265346D+00  0.523140D+00 -0.521174D+00 -0.164578D+01  0.520597D+00
      3   0.602797D+00 -0.185819D+01 -0.419956D+00 -0.118421D+01 -0.122364D+01
               201           202           203           204           205 
      1   0.156133D+01 -0.134094D+01 -0.570154D+00  0.326138D+01 -0.350451D+00
      2  -0.117018D+01 -0.553509D+00 -0.939935D+00 -0.788847D+00 -0.292422D+01
      3  -0.108121D+01 -0.298304D+00 -0.886640D+00  0.130109D+01 -0.261993D+01
               206           207           208           209           210 
      1  -0.927446D+00  0.128374D+02 -0.685860D+00  0.541562D+01  0.111777D+01
      2   0.135450D+01 -0.904360D+01 -0.310403D+01 -0.233869D+01 -0.163779D-01
      3   0.171239D+00 -0.139364D+01  0.400581D+01  0.534264D+01  0.186466D+01
               211           212           213           214           215 
      1   0.139954D+01  0.664452D+01 -0.126540D+01  0.642799D+00 -0.375001D+01
      2  -0.268831D+01 -0.331525D+01 -0.128160D+01 -0.297016D+00 -0.340735D+00
      3   0.557983D+01  0.841621D+01  0.134355D+01 -0.702123D+00 -0.183353D+01
               216           217           218           219           220 
      1  -0.181473D+00 -0.320363D+00 -0.180166D+01 -0.147083D+01 -0.126703D+01
      2  -0.515399D+00 -0.163593D+01 -0.410762D+00 -0.107511D+01  0.648196D+00
      3   0.417251D+00  0.111823D+01 -0.122390D+01  0.114313D+01 -0.312976D+00
               221           222           223           224           225 
      1   0.665452D+00  0.333535D+01  0.177002D+00 -0.101867D+01 -0.132136D+02
      2  -0.981703D+00  0.682591D+00 -0.298319D+01 -0.119565D+01 -0.846856D+01
      3   0.959003D+00  0.125075D+01  0.262405D+01  0.696549D-01  0.141128D+01
               226           227           228           229           230 
      1   0.218064D+01  0.299853D+01  0.159214D+00  0.450862D+01  0.679767D+01
      2  -0.181369D+01 -0.196425D+01  0.200470D+01 -0.577571D+01 -0.154323D+01
      3  -0.287187D+01 -0.520894D+01 -0.251214D+00 -0.468429D+01 -0.954724D+01
               231           232           233           234           235 
      1   0.389081D+00 -0.169704D+01 -0.406108D+00  0.148409D+00  0.189278D+01
      2  -0.373225D+00  0.379426D+01  0.102171D+01  0.781824D+00 -0.752546D+00
      3  -0.159404D+01  0.141308D+01  0.191310D+01 -0.239345D+00 -0.145133D+01
               236           237           238           239           240 
      1  -0.914256D+00  0.787500D+00 -0.214226D+00  0.723526D+00  0.665819D+00
      2  -0.481385D+00 -0.387644D+01  0.822310D+00  0.190977D+01  0.594172D+00
      3   0.968528D-01 -0.508743D+00  0.963960D+00 -0.580436D+00 -0.156638D+01
               241           242           243           244           245 
      1  -0.793514D+00  0.284633D+01  0.126832D+01 -0.813280D+01  0.402220D+01
      2   0.481497D+00  0.208496D+01  0.156557D+02 -0.180927D+01 -0.814129D+00
      3   0.113335D+01 -0.237906D+01 -0.163384D+01  0.591344D+01 -0.145923D+01
               246           247           248           249           250 
      1  -0.655990D+01  0.480141D+01  0.110720D+02 -0.452926D+01 -0.481598D+01
      2   0.215961D+00  0.303189D-01  0.213056D+01  0.601864D+00 -0.315498D+01
      3   0.632262D+01  0.414594D+01  0.731537D+00 -0.698771D+01  0.107607D+02
               251           252           253           254           255 
      1  -0.329962D+01 -0.185785D+01  0.357935D+01  0.284858D+01 -0.976601D+00
      2  -0.248140D+00 -0.187139D+00 -0.142379D+02  0.151284D+02  0.136555D+02
      3  -0.815098D+01  0.527320D+01  0.184934D+02 -0.242764D+02 -0.143226D+02
               256           257           258           259           260 
      1   0.268084D+01 -0.176907D+02  0.224783D+01 -0.790631D+01  0.255094D+02
      2   0.527799D+01  0.631891D+00  0.386091D+01 -0.279075D+01  0.136970D+02
      3  -0.261792D+01 -0.132316D+02 -0.106986D+01 -0.667956D+01 -0.147619D+01
               261           262           263           264           265 
      1   0.147418D+02  0.527358D+01 -0.307263D+01 -0.385014D+01 -0.179804D+01
      2   0.112074D+02  0.715226D+01  0.717765D+00 -0.151706D+01 -0.253436D+01
      3  -0.323885D+01  0.123303D+02 -0.265983D+01 -0.554107D+01 -0.363731D+01
               266           267           268           269           270 
      1   0.257260D+01  0.143397D+00 -0.306304D+01  0.147233D+01  0.263551D+01
      2  -0.124124D+01  0.949267D+00 -0.735814D+00  0.209126D+00  0.456452D+00
      3   0.151135D+01  0.196875D+01 -0.231172D+01  0.222079D+00  0.297983D+01
               271           272           273           274           275 
      1   0.992525D+00  0.197034D+00  0.408256D+01 -0.716297D+00  0.412422D-01
      2  -0.113876D+01  0.354128D+01 -0.508935D+01  0.152061D+01  0.100356D+01
      3  -0.381759D+00  0.292851D+01 -0.324780D+01  0.201780D+01  0.130153D+01
               276           277           278           279           280 
      1  -0.268886D+00  0.818844D+00  0.361407D+00  0.909171D+01 -0.665238D+01
      2  -0.441793D+00 -0.267190D+01  0.214767D+01 -0.791006D+01  0.246911D+01
      3   0.122920D+00 -0.124165D+01  0.209665D+01 -0.241808D+01  0.138824D+02
               281           282           283           284           285 
      1  -0.123770D+01 -0.542609D+01 -0.412403D+00 -0.109139D+01 -0.910469D+00
      2   0.537257D+00  0.357482D+01  0.992802D-01  0.522994D+00  0.918657D-01
      3  -0.851950D+00  0.575913D+01 -0.816864D-01  0.454418D+01 -0.289550D+00
               286           287           288           289           290 
      1  -0.618765D+01 -0.837912D+00 -0.855071D+01  0.744819D-01  0.319985D+00
      2   0.128890D+01  0.131066D+01  0.333509D+01  0.209746D+00  0.329693D+00
      3   0.937827D+01 -0.420386D+00  0.494891D+01  0.192277D+01  0.344307D+01
               291           292           293           294           295 
      1  -0.167700D+01  0.181026D+01  0.405560D+01 -0.710259D+01 -0.148673D+01
      2   0.752598D+00  0.264029D+00 -0.164757D+01  0.165338D+01 -0.861069D+00
      3  -0.975154D+00  0.516768D+01 -0.257056D+01  0.226110D-01 -0.975226D+00
               296           297           298           299           300 
      1  -0.185502D+01  0.683015D+01  0.222535D-02  0.103383D+00  0.137611D+01
      2   0.150711D+01 -0.171122D+01  0.175463D+00 -0.415821D+00  0.614246D+00
      3   0.352191D+01  0.281105D+00 -0.152440D+01  0.364001D+01  0.990793D+00
               301           302           303           304           305 
      1   0.161766D+01 -0.422052D+01 -0.723712D+01  0.135816D+01 -0.199755D+01
      2  -0.413681D+00 -0.142758D+01 -0.136466D+01 -0.988236D+00 -0.138659D+01
      3   0.534303D+01  0.215109D+01 -0.302140D-01  0.114459D+01  0.349343D+01
               306           307           308           309           310 
      1  -0.690805D+01  0.663102D+01 -0.162669D+01  0.548896D+01 -0.720222D+00
      2  -0.140975D+01  0.213540D+01 -0.584461D+00  0.331473D+01 -0.165824D+00
      3  -0.274043D+00 -0.138557D+02 -0.245916D+00 -0.570008D+01  0.422422D+00
               311           312           313           314           315 
      1   0.100446D+01 -0.121687D+01  0.614054D+01 -0.128743D+01  0.864147D+01
      2   0.463020D+00 -0.209253D+00  0.945612D+00 -0.133126D+01  0.294126D+01
      3  -0.424185D+01  0.643196D-01 -0.932869D+01  0.188208D+00 -0.487901D+01
               316           317           318           319           320 
      1  -0.522120D+01 -0.289660D+01  0.378221D+01 -0.166170D+01 -0.226403D+01
      2   0.752483D+01 -0.936154D+00 -0.171769D+01  0.235875D+01 -0.118215D+01
      3  -0.126716D+02 -0.197664D+01  0.563196D+01 -0.326679D+01 -0.927458D+00
               321           322           323           324           325 
      1  -0.654798D-01  0.303401D+01  0.125187D+01 -0.261771D+01 -0.106144D+01
      2  -0.875676D+00 -0.862427D+00 -0.195198D+00  0.570190D+00 -0.129275D+01
      3   0.173205D+01  0.223848D+01  0.137842D-01 -0.297741D+01  0.606036D+00
               326           327           328           329           330 
      1   0.860739D-01 -0.431679D+01 -0.738079D+00  0.501635D-01 -0.533165D-01
      2  -0.345938D+01 -0.486813D+01 -0.141515D+01  0.124318D+01  0.670386D+00
      3   0.285552D+01  0.324998D+01  0.194912D+01 -0.154717D+01 -0.282431D-01
               331           332           333 
      1  -0.921242D+00  0.301777D+00 -0.941336D+01
      2  -0.271081D+01 -0.203467D+01 -0.748257D+01
      3   0.130702D+01  0.203118D+01  0.240737D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.410177D+02 -0.663560D+01 -0.237398D+02 -0.111283D+01  0.188101D+02
      2   0.263650D+02  0.860938D+01  0.132771D+02  0.539964D+01 -0.952504D+01
      3   0.146527D+02 -0.197378D+01  0.104627D+02 -0.428681D+01 -0.928505D+01
      4  -0.157030D+02  0.938410D+01 -0.806986D+01  0.125035D+02  0.651319D+01
      5  -0.264617D+02 -0.177900D+01 -0.533174D+01  0.406394D+01 -0.802507D+01
      6  -0.718135D+01  0.584418D+01  0.998562D-01  0.450361D+01 -0.881067D+01
                 6             7             8             9            10 
      1   0.756748D+01 -0.194653D+02  0.550428D+01 -0.528081D+00  0.118173D+02
      2  -0.965247D+01  0.111090D+02 -0.775809D+01 -0.357158D+01 -0.749549D+01
      3   0.208499D+01  0.835631D+01  0.225381D+01  0.409966D+01 -0.432178D+01
      4  -0.787563D+01 -0.492244D+01 -0.655869D+01 -0.388533D+01  0.723654D+00
      5  -0.448135D+01 -0.633448D+01 -0.354442D+01  0.475701D+01  0.103485D+02
      6  -0.942738D+01  0.941204D-01 -0.743281D+01  0.884789D+00  0.811411D+01
                11            12            13            14            15 
      1   0.311463D+01  0.133564D+02  0.109961D+01 -0.163944D+02 -0.312343D+01
      2  -0.112429D+02 -0.540708D+01 -0.115972D+02  0.382463D+01  0.101195D+02
      3   0.812829D+01 -0.794928D+01  0.104976D+02  0.125697D+02 -0.699612D+01
      4  -0.212706D+02  0.650323D+01 -0.267266D+02 -0.232283D+02  0.180550D+02
      5  -0.449864D+00 -0.907241D+01  0.142351D+01  0.206735D+02  0.406259D+01
      6   0.453991D+01 -0.673901D+00  0.998418D+01  0.117233D+02 -0.296783D+01
                16            17            18            19            20 
      1   0.102204D+02 -0.399483D+01 -0.539633D+01 -0.108823D+01  0.198155D+01
      2  -0.339052D+01  0.932939D+01  0.223877D+01 -0.339747D+01  0.253055D+01
      3  -0.682987D+01 -0.533456D+01  0.315756D+01  0.448570D+01 -0.451210D+01
      4   0.526677D+01  0.141118D+02  0.794431D+00  0.485949D+01  0.126217D+02
      5  -0.795818D+01  0.233341D+01 -0.405483D+01 -0.333072D+01 -0.220282D+01
      6  -0.142910D+01 -0.401408D+01 -0.377772D+01 -0.765102D+01 -0.605769D+01
                21            22            23            24            25 
      1  -0.675836D+01 -0.184972D+01  0.134576D+02 -0.180340D+00 -0.189321D+01
      2   0.429916D+01  0.442785D+01 -0.165774D+02  0.196661D+01  0.190967D+01
      3   0.245920D+01 -0.257813D+01  0.311976D+01 -0.178627D+01 -0.164579D-01
      4  -0.855443D+01  0.815152D+01  0.801780D+01 -0.477526D+01 -0.480095D+01
      5   0.491526D+01 -0.954007D+00 -0.656041D+01  0.255022D+01  0.512493D+01
      6   0.190990D+01 -0.642185D+01 -0.732371D+00  0.564712D+01  0.785892D+00
                26            27            28            29            30 
      1  -0.783314D+00  0.937728D+01 -0.105413D+02  0.328654D-01  0.517905D+01
      2   0.652086D+00  0.472660D+01  0.254065D+01 -0.513652D-01 -0.634776D+01
      3   0.131228D+00 -0.141039D+02  0.800070D+01  0.184998D-01  0.116871D+01
      4  -0.214084D+01  0.138720D+01 -0.469394D-01 -0.585260D+01 -0.412329D+00
      5   0.458123D+00  0.545627D+01  0.355718D+01 -0.268710D+00 -0.282616D+01
      6   0.403585D+01  0.520356D+01 -0.283747D+00 -0.405959D+01 -0.115717D-02
                31            32            33            34            35 
      1  -0.419632D-01  0.255465D+01 -0.410051D+00  0.841388D+01 -0.593033D+00
      2   0.495921D-01 -0.963889D+01  0.468181D+00 -0.909477D+01  0.601878D+00
      3  -0.762889D-02  0.708424D+01 -0.581301D-01  0.680897D+00 -0.884435D-02
      4  -0.681314D+01  0.282248D-01 -0.665473D+01 -0.667870D+00 -0.923368D+01
      5  -0.245530D+00 -0.425345D+01  0.654652D-02  0.433838D+01 -0.102994D-02
      6  -0.398239D+01  0.244425D+00 -0.269954D+01 -0.998974D-04  0.345849D+01
                36            37            38            39            40 
      1   0.311029D+00 -0.140946D+01 -0.301939D+00 -0.598370D+01  0.318408D+01
      2   0.436994D+00 -0.334909D+01 -0.417305D+01  0.346813D+01 -0.568893D+01
      3  -0.748023D+00  0.475856D+01  0.447499D+01  0.251558D+01  0.250485D+01
      4  -0.970520D-02 -0.409003D+01  0.123370D+02  0.877849D+01  0.759602D+01
      5   0.793568D+00 -0.289987D+01  0.178125D+01  0.472031D+01  0.482653D+00
      6  -0.570447D-01  0.721958D+01 -0.640114D+01 -0.188285D+01 -0.671231D+01
                41            42            43            44            45 
      1   0.126020D+02  0.174107D-01 -0.142909D+01  0.664446D+00  0.925980D+01
      2  -0.154287D+02 -0.165287D+01  0.147392D+01 -0.493411D+00  0.483520D+01
      3   0.282662D+01  0.163546D+01 -0.448302D-01 -0.171035D+00 -0.140950D+02
      4  -0.102499D+02 -0.523822D+01  0.484790D+01 -0.238796D+01 -0.156560D+01
      5  -0.662444D+01 -0.247913D+01  0.505189D+01 -0.469374D+00  0.522398D+01
      6   0.164599D+01  0.585026D+01 -0.830887D+00  0.407874D+01 -0.547219D+01
                46            47            48            49            50 
      1   0.114840D+02 -0.609367D+01  0.129133D+02 -0.454463D+01 -0.138191D+02
      2  -0.633311D+01  0.134491D+02 -0.531381D+01  0.142609D+02  0.508268D+00
      3  -0.515088D+01 -0.735546D+01 -0.759948D+01 -0.971625D+01  0.133109D+02
      4  -0.356727D+01 -0.194760D+02 -0.650239D+01 -0.247852D+02  0.260201D+02
      5   0.992995D+01  0.113487D+01 -0.922734D+01 -0.481282D+00  0.201021D+02
      6  -0.790341D+01  0.432895D+01  0.955242D+00  0.978755D+01 -0.132379D+02
                51            52            53            54            55 
      1   0.412630D+01  0.983125D+01  0.477948D+01 -0.546995D+01 -0.390463D+02
      2  -0.114747D+02 -0.332239D+01 -0.103874D+02  0.231378D+01  0.241729D+02
      3   0.734838D+01 -0.650886D+01  0.560796D+01  0.315618D+01  0.148733D+02
      4   0.176901D+02 -0.519752D+01  0.137486D+02 -0.500462D+00  0.193323D+02
      5  -0.384045D+01 -0.793382D+01 -0.222229D+01 -0.393438D+01 -0.261202D+02
      6  -0.281450D+01  0.159726D+01 -0.397741D+01  0.399634D+01  0.870976D+01
                56            57            58            59            60 
      1   0.985666D+01 -0.232945D+02  0.469187D+01  0.176278D+02 -0.720878D+01
      2  -0.108017D+02  0.129521D+02 -0.787699D+01 -0.817114D+01  0.973020D+01
      3   0.945068D+00  0.103424D+02  0.318512D+01 -0.945663D+01 -0.252142D+01
      4   0.757114D+01  0.925662D+01  0.108992D+02 -0.843336D+01 -0.751582D+01
      5   0.276874D+01 -0.510414D+01 -0.305076D+01 -0.759701D+01  0.432829D+01
      6   0.582134D+01 -0.335101D+00  0.465496D+01  0.872444D+01 -0.962540D+01
                61            62            63            64            65 
      1  -0.191654D+02 -0.524573D+01 -0.149570D+00  0.965102D+01 -0.548097D+01
      2   0.109424D+02  0.783369D+01 -0.395016D+01 -0.947941D+01  0.509024D+01
      3   0.822299D+01 -0.258797D+01  0.409973D+01 -0.171602D+00  0.390731D+00
      4   0.589203D+01 -0.618874D+01  0.373898D+01 -0.172202D+02 -0.639112D+01
      5  -0.613840D+01  0.350173D+01  0.474007D+01  0.106372D+02 -0.465594D+01
      6  -0.168764D+00 -0.760556D+01 -0.108503D+01 -0.306096D+01 -0.452547D+01
                66            67            68            69            70 
      1   0.611962D+01 -0.930429D+01 -0.943572D+01 -0.330800D+01  0.375442D+01
      2  -0.621340D+01  0.688592D+01  0.191417D+01  0.130979D+01 -0.326493D+01
      3   0.937776D-01  0.241838D+01  0.752155D+01  0.199821D+01 -0.489489D+00
      4  -0.772404D+01 -0.954285D+00 -0.292266D+01  0.654991D+01 -0.377985D+01
      5   0.780681D+01 -0.511724D+01  0.194131D+01 -0.113679D+01  0.506524D+01
      6  -0.126433D+01 -0.268197D+01 -0.161188D+01  0.355373D+01 -0.976573D+00
                71            72            73            74            75 
      1  -0.127205D+01  0.795442D+01  0.118220D+02  0.409653D+01  0.698294D+01
      2   0.246304D+01  0.712019D+01 -0.114949D+02 -0.401274D+01 -0.696662D+01
      3  -0.119100D+01 -0.150746D+02 -0.327198D+00 -0.837987D-01 -0.163223D-01
      4   0.262127D+01 -0.389048D+01  0.160725D+02 -0.730379D+01  0.747842D+01
      5  -0.155636D+01 -0.746436D+01  0.112757D+02  0.409890D+01  0.796275D+01
      6   0.405479D+01  0.878765D+00  0.231443D+01 -0.473106D+01  0.110029D+01
                76            77            78            79            80 
      1   0.827553D+01 -0.983343D+01  0.354571D+01  0.423400D+01  0.133055D+01
      2  -0.618254D+01  0.222171D+01 -0.152180D+01 -0.375624D+01 -0.251100D+01
      3  -0.209299D+01  0.761172D+01 -0.202392D+01 -0.477759D+00  0.118045D+01
      4  -0.226941D+01  0.374569D+01  0.600209D+01  0.362659D+01  0.234101D+01
      5   0.457649D+01  0.156566D+01  0.919306D+00  0.527904D+01  0.150225D+01
      6  -0.293760D+01  0.187260D+01  0.347348D+01  0.956734D+00  0.396465D+01
                81            82            83            84            85 
      1   0.833980D+01 -0.661917D+01 -0.286470D+01  0.984535D+01 -0.559870D+01
      2   0.675827D+01  0.956658D+01  0.304903D+01 -0.273276D+01  0.894928D+01
      3  -0.150981D+02 -0.294741D+01 -0.184330D+00 -0.711259D+01 -0.335059D+01
      4   0.386337D+01 -0.608673D+01  0.250065D+01  0.526877D+01  0.245356D+01
      5  -0.746840D+01  0.891511D+01 -0.130634D+01 -0.185208D+01 -0.144494D+01
      6  -0.551240D+00  0.531565D+01 -0.425302D+01  0.481061D+01 -0.320288D+01
                86            87            88            89            90 
      1  -0.150898D+02  0.822217D+01  0.673312D+01  0.453949D+01  0.311205D+01
      2   0.142776D+02 -0.159677D+02  0.160159D+00 -0.869723D+01  0.405272D+01
      3   0.812176D+00  0.774555D+01 -0.689328D+01  0.415774D+01 -0.716478D+01
      4   0.415359D+01 -0.345948D+01  0.567605D+01 -0.307516D+01  0.294441D+01
      5  -0.717728D+01  0.159332D+01 -0.620366D+00  0.535630D+00 -0.221711D+01
      6  -0.121097D+02  0.479052D+01  0.394350D+01  0.242889D+01  0.608011D+01
                91            92            93            94            95 
      1  -0.217948D+01  0.274385D+01 -0.666215D+01  0.622942D+01  0.148181D+02
      2   0.196037D+00 -0.464499D+01  0.414585D+01 -0.114691D+02 -0.191504D+02
      3   0.198344D+01  0.190113D+01  0.251630D+01  0.523972D+01  0.433235D+01
      4  -0.555529D+01 -0.308210D+01 -0.128058D+02 -0.416576D+01 -0.102340D+02
      5  -0.575090D+01 -0.143880D+01 -0.339115D+01 -0.107700D+01  0.685845D+01
      6  -0.129837D+02  0.339671D+01 -0.837698D+01  0.396057D+01  0.287083D+02
                96            97            98            99           100 
      1  -0.151798D+02 -0.936743D+01 -0.204678D+02  0.268019D+01  0.690037D+02
      2   0.291057D+02  0.756253D+01  0.336015D+02 -0.657497D+01 -0.372635D+02
      3  -0.139259D+02  0.180491D+01 -0.131337D+02  0.389478D+01 -0.317402D+02
      4   0.553129D+01 -0.143136D+02  0.888672D+01 -0.111718D+02 -0.309796D+02
      5  -0.478914D+00 -0.481055D+01 -0.350169D+01 -0.101856D+00  0.314271D+02
      6  -0.951688D+01 -0.111529D+02 -0.127674D+02  0.178796D+01 -0.949316D+01
               101           102           103           104           105 
      1  -0.947230D+01  0.188855D+02  0.196875D+01  0.531465D+01  0.223321D+01
      2   0.253672D+01 -0.127430D+02 -0.446242D+01 -0.166548D+01 -0.334264D+01
      3   0.693557D+01 -0.614249D+01  0.249367D+01 -0.364916D+01  0.110942D+01
      4   0.132907D+02 -0.879786D+01  0.997622D+01 -0.502242D+01  0.402193D+01
      5  -0.491840D+01  0.182932D+02  0.728687D+00  0.505248D+01 -0.538578D+00
      6   0.329968D+01 -0.641964D+01  0.269956D+01 -0.300358D+01  0.355760D+01
               106           107           108           109           110 
      1   0.145877D+02 -0.725091D+00  0.108585D+02 -0.288942D+01 -0.917802D+01
      2  -0.117562D+02 -0.591822D+00 -0.892135D+01  0.282530D+01  0.856133D+01
      3  -0.283144D+01  0.131691D+01 -0.193713D+01  0.641172D-01  0.616686D+00
      4  -0.808150D+01  0.442669D+01 -0.695104D+01 -0.137232D+00 -0.111646D+01
      5   0.204801D+02 -0.410177D+01  0.130240D+02  0.298938D+01 -0.603729D+00
      6  -0.705018D+01  0.440234D+01 -0.460877D+01 -0.507847D+01 -0.577968D+01
               111           112           113           114           115 
      1   0.870895D+01 -0.557897D+01 -0.188330D+02  0.966903D+01  0.587407D+01
      2  -0.469085D+01  0.362192D+01  0.238263D+02 -0.885727D+01 -0.264631D+01
      3  -0.401810D+01  0.195704D+01 -0.499330D+01 -0.811756D+00 -0.322776D+01
      4  -0.195811D+01  0.462900D+01 -0.142370D+02  0.682392D+01 -0.459841D+01
      5  -0.900290D+00 -0.214323D+01  0.693772D+01 -0.863956D+01  0.318383D+01
      6   0.525089D+01 -0.553310D+00 -0.177919D+02  0.141607D+02  0.481514D+00
               116           117           118           119           120 
      1   0.767466D+01 -0.972775D+01  0.144401D+02 -0.925576D+01 -0.507361D+01
      2  -0.602267D+01  0.467110D+01 -0.328279D+00 -0.324444D+01  0.122857D+01
      3  -0.165198D+01  0.505664D+01 -0.141119D+02  0.125002D+02  0.384504D+01
      4   0.699528D+01 -0.523523D+01 -0.240896D+02  0.230573D+02  0.764779D+01
      5  -0.649906D+01  0.781632D+01 -0.107862D+02  0.716074D+01  0.873256D+01
      6   0.128688D+02 -0.130283D+02  0.713226D+01 -0.573356D+01 -0.466359D+01
               121           122           123           124           125 
      1  -0.875875D+01 -0.116811D+00 -0.150387D+01 -0.371334D+01 -0.160322D+01
      2  -0.846320D+01  0.238227D+02  0.649639D+01  0.111815D+01  0.367454D+01
      3   0.172219D+02 -0.237059D+02 -0.499251D+01  0.259519D+01 -0.207131D+01
      4   0.325131D+02 -0.446053D+02 -0.149878D+02  0.864408D+01 -0.117369D+02
      5   0.998214D+01 -0.151064D+02 -0.102065D+02  0.114712D+02 -0.105901D+02
      6  -0.101056D+02  0.176358D+02  0.114291D+02 -0.782740D+01  0.119150D+02
               126           127           128           129           130 
      1   0.878657D+00  0.219679D+02  0.753654D+01 -0.970941D+01  0.156369D+02
      2   0.146511D+01 -0.157870D+02 -0.691765D+01  0.823307D+01 -0.132342D+02
      3  -0.234376D+01 -0.618087D+01 -0.618891D+00  0.147634D+01 -0.240270D+01
      4  -0.114525D+02  0.189610D+01  0.672533D+01 -0.107501D+00  0.637021D+01
      5  -0.871248D+01 -0.148809D+02 -0.399768D+01  0.125840D+02 -0.908090D+01
      6   0.835119D+01  0.935478D+00 -0.178273D+01 -0.198738D+01 -0.257676D+01
               131           132           133           134           135 
      1   0.851547D+01 -0.530525D+01 -0.968322D+01 -0.161757D+01  0.638836D+01
      2  -0.794215D+01  0.852235D+01  0.919255D+01  0.492179D+01 -0.106329D+02
      3  -0.573317D+00 -0.321710D+01  0.490665D+00 -0.330422D+01  0.424455D+01
      4   0.883452D+01 -0.698080D+01  0.162162D+01 -0.602744D+01  0.265711D+01
      5  -0.985685D+01  0.116263D+02  0.132760D+02  0.559678D+01 -0.146228D+02
      6  -0.187958D+01  0.343909D+00 -0.143800D+01  0.244730D+01  0.119299D+01
               136           137           138           139           140 
      1   0.175552D+02  0.106457D+02 -0.571199D+01  0.109495D+02  0.283871D+01
      2  -0.211399D+01  0.220136D+01  0.165233D+01  0.660949D+01  0.195365D+02
      3  -0.154412D+02 -0.128470D+02  0.405967D+01 -0.175590D+02 -0.223753D+02
      4   0.257895D+02  0.235245D+02 -0.801205D+01  0.332141D+02  0.430222D+02
      5  -0.118919D+02 -0.759040D+01  0.939306D+01 -0.105906D+02 -0.150784D+02
      6  -0.732632D+01 -0.583658D+01  0.476315D+01 -0.100911D+02 -0.162945D+02
               141           142           143           144           145 
      1   0.428420D+00 -0.445665D+01  0.743075D+00  0.188044D+01  0.207451D+02
      2  -0.525396D+01  0.174596D+01 -0.272180D+01  0.462230D+00 -0.147104D+02
      3   0.482554D+01  0.271069D+01  0.197872D+01 -0.234267D+01 -0.603471D+01
      4  -0.149523D+02 -0.895794D+01 -0.115720D+02  0.114610D+02 -0.293327D+01
      5   0.103050D+02  0.123087D+02  0.106047D+02 -0.911287D+01 -0.143457D+02
      6   0.107803D+02  0.783613D+01  0.111267D+02 -0.799708D+01 -0.485466D+00
               146           147           148           149           150 
      1  -0.758156D+01 -0.947626D+01 -0.157672D+02  0.865337D+01  0.509660D+01
      2   0.668901D+01  0.784094D+01  0.130484D+02 -0.795105D+01 -0.822770D+01
      3   0.892546D+00  0.163532D+01  0.271884D+01 -0.702325D+00  0.313111D+01
      4   0.709897D+01  0.553110D+00  0.739264D+01 -0.981965D+01 -0.757698D+01
      5   0.413375D+01  0.121203D+02  0.919964D+01 -0.102928D+02 -0.121103D+02
      6  -0.185084D+01  0.146004D+01 -0.285900D+01  0.239118D+01  0.790682D+00
               151           152           153           154           155 
      1  -0.982568D+01  0.147913D+01  0.612381D+01  0.716999D+02  0.776333D+01
      2   0.914317D+01 -0.477167D+01 -0.103628D+02 -0.396281D+02 -0.204805D+01
      3   0.682504D+00  0.329254D+01  0.423894D+01 -0.320718D+02 -0.571528D+01
      4  -0.110354D+01 -0.625279D+01 -0.339853D+01  0.272466D+02  0.117590D+02
      5   0.130880D+02 -0.605469D+01 -0.146700D+02  0.319526D+02  0.391866D+01
      6   0.970965D+00  0.264948D+01 -0.564471D+00  0.838172D+01  0.285034D+01
               156           157           158           159           160 
      1   0.194854D+02 -0.403471D+01  0.542813D+01 -0.273683D+01  0.153114D+02
      2  -0.132976D+02  0.525429D+01 -0.215896D+01  0.357971D+01 -0.124015D+02
      3  -0.618783D+01 -0.121959D+01 -0.326917D+01 -0.842873D+00 -0.290992D+01
      4   0.759467D+01  0.917397D+01  0.368890D+01  0.392132D+01  0.714975D+01
      5   0.185741D+02 -0.179636D+01  0.503831D+01 -0.126150D+00  0.209616D+02
      6   0.578124D+01  0.247437D+01  0.252890D+01  0.327863D+01  0.635609D+01
               161           162           163           164           165 
      1   0.471654D+00  0.114364D+02 -0.225086D+01  0.838962D+01  0.844956D+01
      2   0.739024D+00 -0.949988D+01  0.231360D+01 -0.756147D+01 -0.447159D+01
      3  -0.121068D+01 -0.193652D+01 -0.627457D-01 -0.828155D+00 -0.397797D+01
      4   0.412867D+01  0.608462D+01  0.506428D+00 -0.120519D+01  0.170755D+01
      5   0.340001D+01  0.132438D+02  0.331851D+01  0.551584D+00 -0.711563D+00
      6   0.395810D+01  0.405812D+01  0.469148D+01 -0.523626D+01 -0.458940D+01
               166           167           168           169           170 
      1   0.534259D+01 -0.181735D+02 -0.942215D+01  0.596056D+01 -0.731905D+01
      2  -0.316484D+01  0.230573D+02  0.844736D+01 -0.280521D+01  0.553199D+01
      3  -0.217775D+01 -0.488387D+01  0.974794D+00 -0.315535D+01  0.178705D+01
      4   0.488823D+01  0.158909D+02  0.752245D+01  0.453257D+01  0.736466D+01
      5   0.230590D+01  0.757281D+01  0.926597D+01  0.346067D+01  0.689774D+01
      6  -0.111736D+00  0.177339D+02  0.139755D+02 -0.865538D-01  0.125883D+02
               171           172           173           174           175 
      1  -0.924786D+01  0.123057D+02 -0.598554D+01  0.255734D+00 -0.111213D+02
      2   0.420124D+01 -0.444554D+01  0.213052D+01 -0.718206D+00  0.590589D+01
      3   0.504662D+01 -0.786018D+01  0.385503D+01  0.462472D+00  0.521537D+01
      4   0.583083D+01 -0.107152D+02  0.114096D+02 -0.230851D+01  0.910413D+01
      5   0.836762D+01  0.324472D+01 -0.291285D+01  0.304749D+01 -0.808501D+01
      6   0.126709D+02 -0.294365D+01  0.367068D+01 -0.135301D+01  0.417558D+01
               176           177           178           179           180 
      1   0.484870D+01 -0.212046D+01 -0.585945D+01  0.118511D+01 -0.950150D+00
      2   0.143128D+00  0.344601D+01  0.289230D+01  0.621388D+00 -0.746769D+00
      3  -0.499183D+01 -0.132554D+01  0.296715D+01 -0.180650D+01  0.169692D+01
      4  -0.172922D+02  0.184867D+01 -0.188352D+01 -0.210023D+01 -0.367233D+01
      5   0.325827D+01 -0.549695D+01  0.167327D+00 -0.292769D+01  0.655875D+00
      6  -0.677788D+01  0.193222D+01 -0.114153D+01  0.848751D+00 -0.168577D+01
               181           182           183           184           185 
      1  -0.354522D+01 -0.255278D+00  0.324030D+01  0.171598D+00 -0.119007D+01
      2   0.105119D+01 -0.439446D+00  0.160147D+01 -0.114631D+00 -0.191840D+01
      3   0.249403D+01  0.694724D+00 -0.484177D+01 -0.569678D-01  0.310846D+01
      4  -0.275163D+01  0.544526D+00 -0.473239D+00  0.305201D+01 -0.229955D+00
      5  -0.119385D+01 -0.404844D+00  0.824498D+00 -0.459563D+00  0.291693D+01
      6   0.208491D+00  0.657647D+00 -0.688512D-01  0.159324D+01 -0.320381D+00
               186           187           188           189           190 
      1  -0.852451D-02  0.263535D+01  0.193185D+01 -0.168886D+02 -0.391831D+01
      2   0.701227D+00 -0.594686D+01  0.163064D+01 -0.187259D+02  0.565773D+01
      3  -0.692702D+00  0.331151D+01 -0.356248D+01  0.356145D+02 -0.173942D+01
      4   0.322688D+01  0.127647D+01  0.433664D+01 -0.349329D+01 -0.463381D+01
      5  -0.602730D+00  0.817039D+01 -0.227948D+01  0.227786D+02  0.297532D+01
      6   0.530835D+01  0.264803D+00  0.350980D+01  0.802520D+00  0.297762D+00
               191           192           193           194           195 
      1   0.651333D+01 -0.174659D+01  0.689769D+01 -0.198526D+02  0.438944D+01
      2  -0.821859D+01  0.106226D+01 -0.671703D+01  0.307022D+02 -0.351943D+01
      3   0.170525D+01  0.684326D+00 -0.180653D+00 -0.108497D+02 -0.870006D+00
      4   0.697262D+00  0.178425D+01  0.580520D+01  0.179590D+01 -0.468737D+00
      5  -0.437631D+00 -0.768875D+00 -0.278661D+01  0.189189D+01  0.100404D+01
      6   0.634529D+01 -0.305276D+01  0.159715D+01 -0.114987D+02  0.621422D+01
               196           197           198           199           200 
      1   0.152159D+01  0.710976D+00 -0.421824D+01 -0.573681D+00  0.134338D+01
      2  -0.130808D+01  0.279326D+01  0.236253D+01 -0.246924D+01 -0.996399D+00
      3  -0.213512D+00 -0.350424D+01  0.185571D+01  0.304292D+01 -0.346983D+00
      4   0.310488D+01  0.351529D+01 -0.160019D+01  0.220630D+00 -0.610366D+00
      5  -0.905890D+00 -0.131414D+00  0.677920D+00 -0.180111D+01  0.771334D-01
      6  -0.211428D+01  0.255311D+01 -0.174576D+01 -0.553636D+00  0.206956D+01
               201           202           203           204           205 
      1  -0.324044D+01 -0.114357D+01 -0.377121D+01  0.290655D+00 -0.312349D+01
      2   0.907833D+00  0.101541D+01  0.132322D+01 -0.425663D+01  0.265107D+01
      3   0.233260D+01  0.128164D+00  0.244799D+01  0.396597D+01  0.472419D+00
      4  -0.102336D+01 -0.187302D+01 -0.312211D+01  0.344690D-01 -0.393071D+01
      5   0.388882D+01  0.875664D+00  0.417732D+00 -0.208730D+01  0.407424D+01
      6  -0.171642D+01  0.180133D+01 -0.651958D+00  0.228867D+01  0.814682D+00
               206           207           208           209           210 
      1   0.464472D+01 -0.204279D+02 -0.409573D+01 -0.712176D+01 -0.208335D+01
      2  -0.440276D+00 -0.142478D+02  0.591695D+01  0.923948D+01  0.136473D+01
      3  -0.420444D+01  0.346757D+02 -0.182121D+01 -0.211772D+01  0.718615D+00
      4  -0.283907D+01 -0.540109D+00  0.539911D+01  0.114097D+01 -0.166025D+01
      5   0.301908D+01 -0.141401D+02  0.313472D+01  0.687455D+00 -0.662954D+00
      6   0.741226D+01 -0.182466D+02 -0.672103D-01  0.680746D+01  0.335326D+01
               211           212           213           214           215 
      1  -0.704463D+01 -0.193100D+02 -0.430135D+01  0.124010D+01 -0.422991D+00
      2   0.727253D+01  0.300948D+02  0.345572D+01 -0.118279D+01 -0.309679D+01
      3  -0.227899D+00 -0.107848D+02  0.845632D+00 -0.573137D-01  0.351978D+01
      4   0.615715D+01  0.102458D+00 -0.497555D-01 -0.306980D+01  0.353223D+01
      5   0.281434D+01  0.224632D+01 -0.702460D+00 -0.808096D+00  0.269965D+00
      6   0.196481D+01  0.109768D+02  0.608625D+01  0.225073D+01  0.244186D+01
               216           217           218           219           220 
      1  -0.405777D+01 -0.629341D+00 -0.152137D+01 -0.316089D+01  0.846500D+00
      2   0.221619D+01 -0.242684D+01  0.120317D+01  0.991542D+00 -0.688122D+00
      3   0.184158D+01  0.305618D+01  0.318197D+00  0.216935D+01 -0.158378D+00
      4   0.187648D+01 -0.399624D+00 -0.346470D+00  0.121604D+01 -0.178781D+01
      5   0.757400D+00 -0.179915D+01  0.115955D+00  0.404407D+01 -0.685996D+00
      6   0.169248D+01  0.810163D+00  0.207122D+01  0.164900D+01  0.182626D+01
               221           222           223           224           225 
      1  -0.347113D+01 -0.164342D+00 -0.299044D+01 -0.478671D+01 -0.203816D+02
      2   0.103353D+01  0.418831D+01  0.231613D+01  0.570471D+00 -0.142638D+02
      3   0.243759D+01 -0.402396D+01  0.674314D+00  0.421623D+01  0.346454D+02
      4   0.342215D+01  0.183515D+00  0.406090D+01 -0.279391D+01  0.793448D+00
      5   0.472370D+00  0.198735D+01  0.390266D+01 -0.288007D+01 -0.132971D+02
      6   0.484461D+00  0.214749D+01 -0.656770D+00  0.760768D+01  0.188936D+02
               226           227           228           229           230 
      1   0.139447D+02  0.664009D+01  0.537476D+00  0.116576D+02  0.511257D+01
      2  -0.571001D+01 -0.296452D+01 -0.103751D+01 -0.669488D+01 -0.257862D+00
      3  -0.823466D+01 -0.367558D+01  0.500035D+00 -0.496274D+01 -0.485471D+01
      4   0.107918D+02  0.112372D+02  0.232334D+01  0.854707D+01  0.163246D+02
      5   0.383776D+01  0.306256D+01  0.332438D+01  0.832582D+01  0.284573D+01
      6   0.311703D+01  0.368699D+01  0.129061D+01  0.405003D+01  0.615060D+01
               231           232           233           234           235 
      1   0.242194D+01 -0.575865D+01 -0.102545D+01 -0.672214D+00 -0.327232D+01
      2  -0.384202D+01  0.274783D+01 -0.702109D+00 -0.998741D+00  0.804046D+00
      3   0.142008D+01  0.301083D+01  0.172756D+01  0.167095D+01  0.246827D+01
      4   0.148996D+01  0.219203D+01 -0.217827D+01  0.366690D+01  0.307446D+01
      5   0.553856D+01  0.322587D+00  0.299288D+01  0.707315D+00 -0.114892D+01
      6   0.172240D+01  0.114185D+01  0.719505D+00  0.164624D+01 -0.658646D-01
               236           237           238           239           240 
      1   0.383958D+00  0.328861D+01  0.181151D+00 -0.119065D+01  0.139404D+00
      2   0.284509D+00  0.151959D+01 -0.260057D+00 -0.194702D+01 -0.103949D+01
      3  -0.668467D+00 -0.480820D+01  0.789056D-01  0.313768D+01  0.900082D+00
      4   0.430264D+00  0.532790D+00  0.292591D+01  0.482564D-01  0.316339D+01
      5   0.601968D+00  0.862907D+00  0.697025D+00  0.287911D+01  0.788322D+00
      6   0.652836D+00  0.257946D+00  0.158209D+01  0.999275D-01  0.526719D+01
               241           242           243           244           245 
      1   0.243667D+01 -0.165997D+01 -0.165819D+02 -0.207465D+01 -0.220005D+01
      2  -0.589929D+01 -0.174970D+01 -0.190170D+02  0.389316D+00  0.396188D+01
      3   0.346262D+01  0.340968D+01  0.355989D+02  0.168534D+01 -0.176184D+01
      4  -0.145361D+01  0.439899D+01  0.338897D+01  0.536788D+01 -0.256897D+01
      5   0.824435D+01  0.206905D+01  0.226955D+02 -0.501182D+01  0.208907D+01
      6  -0.468719D+00  0.342938D+01 -0.178004D+01  0.134593D+02  0.140250D+01
               246           247           248           249           250 
      1  -0.478248D+01 -0.585532D+01  0.159415D+02  0.157832D+02 -0.713682D+01
      2   0.163147D+01  0.110177D+02 -0.204771D+02 -0.295844D+02  0.474946D+01
      3   0.315101D+01 -0.516242D+01  0.453561D+01  0.138012D+02  0.238736D+01
      4   0.133814D+02 -0.319761D+01  0.898652D+01  0.298763D+01  0.152726D+02
      5  -0.300046D+01  0.169091D+01  0.538697D+01  0.148402D+00 -0.415462D+01
      6   0.807406D+01  0.207393D+01 -0.292152D+02 -0.986935D+01  0.107638D+02
               251           252           253           254           255 
      1   0.215298D+02  0.366866D+01 -0.567323D+01  0.274843D+01  0.901377D+01
      2  -0.346078D+02 -0.757417D+01  0.845017D+01 -0.312067D+01 -0.156836D+01
      3   0.130780D+02  0.390550D+01 -0.277694D+01  0.372243D+00 -0.744541D+01
      4   0.583461D+01  0.107137D+02  0.697163D+01  0.188377D+01 -0.592596D+01
      5   0.312050D+01 -0.169720D+00  0.875719D+01  0.454429D+00 -0.212547D+01
      6  -0.134035D+02 -0.179881D+01 -0.602725D+01 -0.356332D+01 -0.452901D+01
               256           257           258           259           260 
      1   0.530671D+01 -0.158671D+02 -0.892517D+01  0.601046D+01 -0.509060D+01
      2  -0.885091D+01  0.151579D+02  0.163407D+02  0.104520D+01  0.887951D+01
      3   0.354420D+01  0.709193D+00 -0.741555D+01 -0.705566D+01 -0.378892D+01
      4   0.134939D+01 -0.295336D+01 -0.211685D+01 -0.608274D+01 -0.223197D+01
      5   0.639574D+00 -0.671554D+01 -0.128929D+01 -0.797988D+00 -0.365858D+00
      6  -0.244162D+01  0.127533D+02  0.506258D+01 -0.382037D+01  0.262811D+01
               261           262           263           264           265 
      1   0.285865D+01  0.173824D+02 -0.287137D+01 -0.556187D+01 -0.431419D+00
      2   0.427065D+01 -0.153551D+02  0.585646D+01  0.790297D+01  0.230192D+01
      3  -0.712930D+01 -0.202734D+01 -0.298509D+01 -0.234111D+01 -0.187050D+01
      4  -0.289617D+01  0.149315D+02  0.615008D+01 -0.720156D+01  0.131669D+01
      5  -0.248433D+01 -0.175152D+02 -0.262897D+01  0.108486D+02  0.222116D+01
      6  -0.596802D+01 -0.701507D+01 -0.353582D+01  0.632691D+01 -0.209327D+00
               266           267           268           269           270 
      1   0.431337D+01 -0.595306D+00 -0.328691D+01 -0.571999D+00  0.148767D+01
      2  -0.301529D+01 -0.375707D+00  0.658619D+01  0.158283D+01 -0.715055D+01
      3  -0.129809D+01  0.971012D+00 -0.329928D+01 -0.101083D+01  0.566288D+01
      4   0.403489D-02  0.375151D+00 -0.280060D+01 -0.198807D+00  0.313346D+01
      5  -0.217354D+00 -0.126713D+01  0.792434D+01  0.468949D-01 -0.720717D+01
      6   0.163805D+01 -0.217079D+00  0.327703D+01  0.120602D+01 -0.479037D+01
               271           272           273           274           275 
      1  -0.254196D+00  0.617208D+01 -0.732926D+01  0.184957D+01 -0.182646D+01
      2  -0.430808D+01 -0.620177D+01 -0.188014D+01 -0.189784D+01 -0.519068D+00
      3   0.456228D+01  0.296856D-01  0.920940D+01  0.482763D-01  0.234553D+01
      4  -0.362018D+01 -0.801465D+00 -0.333114D+01 -0.192658D-01 -0.203150D+01
      5   0.186645D+01  0.298124D+00  0.339142D+01 -0.129303D-01  0.220700D+01
      6  -0.243290D+01  0.547300D+01 -0.849756D+01  0.243925D+01 -0.237299D+01
               276           277           278           279           280 
      1   0.158563D+01 -0.246825D+01  0.611214D+01 -0.150542D+02  0.122224D+02
      2  -0.590887D+00 -0.115423D+01 -0.227882D+01 -0.123865D+02 -0.273776D+01
      3  -0.994739D+00  0.362248D+01 -0.383332D+01  0.274407D+02 -0.948469D+01
      4   0.128211D+01 -0.329038D+01 -0.892189D+00 -0.307968D+01  0.250264D+02
      5  -0.958895D+00  0.384553D+01  0.301204D+00 -0.129683D+01  0.751291D+01
      6   0.505855D+01 -0.170722D+01  0.746917D+01 -0.200373D+02  0.965906D+01
               281           282           283           284           285 
      1  -0.246301D+01  0.449902D+01 -0.327012D+01 -0.135219D+01 -0.779739D+00
      2   0.101092D+02 -0.134339D+01  0.721671D+01  0.529012D+01  0.994762D+00
      3  -0.764623D+01 -0.315563D+01 -0.394659D+01 -0.393793D+01 -0.215023D+00
      4   0.118385D+02  0.956572D+01  0.617842D+01  0.840308D+01  0.190407D+01
      5   0.168307D+01  0.636867D+01  0.669356D+00  0.177834D+01  0.741789D+00
      6   0.295069D+01  0.862938D+01  0.120558D+01  0.166016D+01  0.343779D+01
               286           287           288           289           290 
      1   0.505626D+01 -0.104399D+01  0.664006D+00 -0.316844D+01 -0.775323D+00
      2  -0.210215D+01  0.445926D+01  0.399987D+00  0.816009D+01  0.550250D+01
      3  -0.295411D+01 -0.341527D+01 -0.106399D+01 -0.499165D+01 -0.472718D+01
      4   0.153799D+02  0.616005D+01  0.102337D+02  0.775648D+01  0.149688D+02
      5   0.772286D+01  0.303901D+01  0.755635D+01 -0.146142D+01 -0.329277D+01
      6   0.106097D+02  0.775821D+01  0.131440D+02 -0.448140D+01 -0.421250D+01
               291           292           293           294           295 
      1   0.100638D+01 -0.444912D+01 -0.357411D+02  0.128917D+02  0.398447D+01
      2  -0.224432D+01  0.108416D+02  0.634942D+02 -0.202524D+02 -0.606440D+01
      3   0.123794D+01 -0.639247D+01 -0.277532D+02  0.736068D+01  0.207993D+01
      4  -0.471025D+01  0.122431D+02  0.192968D+02 -0.739231D+01 -0.574837D+01
      5   0.364365D+01 -0.192458D+01 -0.462491D+01  0.306000D+01  0.404819D+01
      6   0.352504D+01 -0.603138D+01 -0.291888D+02  0.181361D+02  0.733019D+01
               296           297           298           299           300 
      1   0.195398D+02 -0.128617D+02 -0.356996D+01  0.586083D+00  0.806703D+00
      2  -0.284675D+02  0.153940D+02  0.811603D+01 -0.427636D+01 -0.171352D+01
      3   0.892765D+01 -0.253234D+01 -0.454608D+01  0.369028D+01  0.906818D+00
      4  -0.107427D+02  0.810163D+01 -0.608149D+01  0.142360D+02  0.428423D+01
      5   0.506627D+01 -0.441429D+01 -0.105795D+01  0.298493D+01  0.336971D+01
      6   0.260916D+02 -0.209253D+02  0.413421D+01 -0.322549D+01 -0.285904D+01
               301           302           303           304           305 
      1   0.401675D+01 -0.375157D+02 -0.135253D+02  0.355507D+01 -0.205897D+02
      2  -0.938416D+01  0.657130D+02  0.209335D+02 -0.523716D+01  0.296225D+02
      3   0.536740D+01 -0.281973D+02 -0.740828D+01  0.168209D+01 -0.903273D+01
      4   0.111230D+02 -0.159739D+02 -0.608985D+01  0.490977D+01 -0.880320D+01
      5   0.155416D+01 -0.352755D+01 -0.240221D+01  0.353980D+01 -0.407240D+01
      6  -0.499222D+01  0.297652D+02  0.183965D+02 -0.632578D+01  0.266002D+02
               306           307           308           309           310 
      1  -0.135260D+02  0.102339D+02  0.279871D+01  0.362596D+01  0.318521D+01
      2   0.160691D+02 -0.124484D+01 -0.105732D+02 -0.452032D+00 -0.730294D+01
      3  -0.254309D+01 -0.898908D+01  0.777444D+01 -0.317393D+01  0.411773D+01
      4  -0.681910D+01 -0.248237D+02  0.119247D+02 -0.970845D+01  0.639444D+01
      5  -0.348389D+01  0.694812D+01 -0.185134D+01  0.592248D+01 -0.894451D+00
      6   0.210989D+02 -0.975798D+01  0.342553D+01 -0.871753D+01  0.162002D+01
               311           312           313           314           315 
      1  -0.259154D+01  0.690508D+00  0.369460D+01  0.126314D+01 -0.304709D+00
      2   0.715037D+01 -0.982684D+00 -0.860894D+00 -0.470909D+01  0.139963D+01
      3  -0.455883D+01  0.292177D+00 -0.283370D+01  0.344595D+01 -0.109492D+01
      4  -0.894485D+01  0.223922D+01 -0.153803D+02  0.654829D+01 -0.102000D+02
      5   0.171544D+01 -0.891367D+00  0.708592D+01 -0.307181D+01  0.693517D+01
      6  -0.185814D+01  0.388523D+01 -0.105512D+02  0.841758D+01 -0.134369D+02
               316           317           318           319           320 
      1   0.163283D+02  0.301238D+01 -0.486419D+01  0.329466D+00  0.435984D+01
      2  -0.144378D+02 -0.595138D+01  0.725989D+01 -0.209270D+01 -0.275626D+01
      3  -0.189054D+01  0.293899D+01 -0.239570D+01  0.176323D+01 -0.160359D+01
      4  -0.159577D+02  0.619042D+01  0.779097D+01  0.190291D+01 -0.110907D+01
      5  -0.172001D+02  0.317265D+01  0.106247D+02 -0.156046D+01 -0.414151D+00
      6   0.758653D+01 -0.397322D+01 -0.681171D+01 -0.550714D+00 -0.129347D+01
               321           322           323           324           325 
      1   0.845177D+00 -0.295484D+01  0.758309D+00  0.119167D+01 -0.318507D+00
      2   0.241933D-01  0.622976D+01 -0.188125D+01 -0.685252D+01 -0.424392D+01
      3  -0.869370D+00 -0.327492D+01  0.112295D+01  0.566085D+01  0.456243D+01
      4   0.193493D-01  0.328845D+01 -0.340041D+00 -0.350367D+01  0.342146D+01
      5   0.793416D+00  0.776409D+01 -0.355142D+00 -0.699085D+01  0.198245D+01
      6   0.365677D-01 -0.360600D+01  0.133097D+01  0.511230D+01  0.270556D+01
               326           327           328           329           330 
      1  -0.630759D+01 -0.708328D+01 -0.191026D+01 -0.128144D+01 -0.114431D+01
      2   0.643920D+01 -0.216596D+01  0.205757D+01 -0.107114D+01  0.562416D+00
      3  -0.131608D+00  0.924924D+01 -0.147309D+00  0.235258D+01  0.581890D+00
      4  -0.306899D+00  0.361812D+01  0.826131D-01  0.210622D+01  0.121551D+01
      5  -0.372605D-01  0.381300D+01  0.140506D+00  0.231329D+01  0.101678D+01
      6   0.546347D+01  0.856279D+01  0.242102D+01  0.191069D+01  0.462841D+01
               331           332           333 
      1  -0.244601D+01 -0.604853D+01 -0.147617D+02
      2  -0.135046D+01  0.238073D+01 -0.126516D+02
      3   0.379647D+01  0.366781D+01  0.274133D+02
      4   0.332127D+01 -0.656231D+00  0.319502D+01
      5   0.391186D+01 -0.135144D+00 -0.390108D+00
      6   0.187274D+01  0.738939D+01  0.200605D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 03:39:29 2021, MaxMem= 10737418240 cpu:          168599.5 elap:           10548.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.92516 -14.92514 -14.92493 -14.92491 -14.92491
 Alpha  occ. eigenvalues --  -14.92481 -10.74057 -10.74035 -10.73983 -10.73978
 Alpha  occ. eigenvalues --  -10.73947 -10.73942  -3.78214  -2.54969  -2.54967
 Alpha  occ. eigenvalues --   -2.54553  -1.47167  -1.46030  -1.45995  -1.43456
 Alpha  occ. eigenvalues --   -1.43426  -1.43383  -1.25235  -1.25026  -1.25016
 Alpha  occ. eigenvalues --   -1.13138  -1.12954  -1.12320  -1.05361  -1.05113
 Alpha  occ. eigenvalues --   -1.04893  -1.03797  -1.03118  -1.02643  -1.02220
 Alpha  occ. eigenvalues --   -1.02088  -1.01618  -0.95683  -0.95609  -0.94900
 Alpha  occ. eigenvalues --   -0.94359  -0.94097  -0.94032  -0.91896  -0.90866
 Alpha  occ. eigenvalues --   -0.90863  -0.87094  -0.87056  -0.86138  -0.85611
 Alpha  occ. eigenvalues --   -0.85083  -0.84613  -0.82678  -0.81898  -0.81869
 Alpha  occ. eigenvalues --   -0.79467  -0.79455  -0.79288
 Alpha virt. eigenvalues --   -0.40294  -0.40287  -0.33355  -0.31340  -0.30523
 Alpha virt. eigenvalues --   -0.30337  -0.27383  -0.27339  -0.27047  -0.25716
 Alpha virt. eigenvalues --   -0.25069  -0.24334  -0.24051  -0.23159  -0.22977
 Alpha virt. eigenvalues --   -0.22398  -0.22163  -0.21957  -0.21259  -0.21230
 Alpha virt. eigenvalues --   -0.20937  -0.19473  -0.19155  -0.18851  -0.18733
 Alpha virt. eigenvalues --   -0.18571  -0.18381  -0.17981  -0.17836  -0.17452
 Alpha virt. eigenvalues --   -0.16933  -0.16894  -0.16323  -0.16055  -0.15920
 Alpha virt. eigenvalues --   -0.15498  -0.15355  -0.15113  -0.14936  -0.14799
 Alpha virt. eigenvalues --   -0.14632  -0.14420  -0.13835  -0.13757  -0.13488
 Alpha virt. eigenvalues --   -0.13399  -0.13102  -0.12998  -0.12795  -0.12349
 Alpha virt. eigenvalues --   -0.12203  -0.11857  -0.11630  -0.11409  -0.11235
 Alpha virt. eigenvalues --   -0.11175  -0.11172  -0.10723  -0.10498  -0.10022
 Alpha virt. eigenvalues --   -0.09884  -0.09679  -0.09247  -0.09222  -0.09152
 Alpha virt. eigenvalues --   -0.08710  -0.08464  -0.08205  -0.07679  -0.07651
 Alpha virt. eigenvalues --   -0.07577  -0.07391  -0.07346  -0.06917  -0.06775
 Alpha virt. eigenvalues --   -0.05884  -0.05875  -0.05677  -0.05366  -0.05051
 Alpha virt. eigenvalues --   -0.04969  -0.04572  -0.04305  -0.03759  -0.03569
 Alpha virt. eigenvalues --   -0.03306  -0.03001  -0.02877  -0.02437  -0.02163
 Alpha virt. eigenvalues --   -0.00992  -0.00824  -0.00766  -0.00466  -0.00236
 Alpha virt. eigenvalues --   -0.00196   0.00838   0.01119   0.01167   0.01451
 Alpha virt. eigenvalues --    0.01496   0.01923   0.02381   0.02814   0.02869
 Alpha virt. eigenvalues --    0.03866   0.04639   0.05119   0.05330   0.05351
 Alpha virt. eigenvalues --    0.06345   0.06940   0.07300   0.07498   0.07802
 Alpha virt. eigenvalues --    0.08255   0.08588   0.08815   0.09288   0.09557
 Alpha virt. eigenvalues --    0.09888   0.10152   0.10422   0.10630   0.10906
 Alpha virt. eigenvalues --    0.11238   0.11941   0.12218   0.12221   0.12578
 Alpha virt. eigenvalues --    0.12772   0.13066   0.13360   0.14849   0.15582
 Alpha virt. eigenvalues --    0.15820   0.15967   0.16428   0.16749   0.17066
 Alpha virt. eigenvalues --    0.17549   0.17671   0.17880   0.18851   0.19070
 Alpha virt. eigenvalues --    0.19173   0.19676   0.20359   0.20393   0.20950
 Alpha virt. eigenvalues --    0.21009   0.22027   0.22252   0.22580   0.23210
 Alpha virt. eigenvalues --    0.23247   0.23627   0.23859   0.24470   0.24682
 Alpha virt. eigenvalues --    0.24832   0.25962   0.26076   0.26822   0.27795
 Alpha virt. eigenvalues --    0.27911   0.28018   0.28594   0.30021   0.30401
 Alpha virt. eigenvalues --    0.30964   0.31136   0.31597   0.32219   0.32704
 Alpha virt. eigenvalues --    0.32807   0.33140   0.33323   0.34108   0.34657
 Alpha virt. eigenvalues --    0.34865   0.35307   0.35383   0.35922   0.36542
 Alpha virt. eigenvalues --    0.36547   0.36729   0.36844   0.37282   0.37912
 Alpha virt. eigenvalues --    0.38479   0.38837   0.39081   0.39457   0.39849
 Alpha virt. eigenvalues --    0.40402   0.40453   0.40815   0.41274   0.42118
 Alpha virt. eigenvalues --    0.42732   0.42891   0.44057   0.44356   0.44574
 Alpha virt. eigenvalues --    0.44654   0.45009   0.45706   0.45960   0.46460
 Alpha virt. eigenvalues --    0.46556   0.47486   0.47666   0.48010   0.48029
 Alpha virt. eigenvalues --    0.48728   0.49733   0.51369   0.52027   0.52390
 Alpha virt. eigenvalues --    0.52886   0.53133   0.53405   0.54577   0.54625
 Alpha virt. eigenvalues --    0.55274   0.56187   0.56642   0.56847   0.57552
 Alpha virt. eigenvalues --    0.57760   0.58299   0.58395   0.58508   0.59588
 Alpha virt. eigenvalues --    0.59888   0.60792   0.60879   0.61719   0.62227
 Alpha virt. eigenvalues --    0.63335   0.64006   0.64195   0.64361   0.65399
 Alpha virt. eigenvalues --    0.66500   0.67117   0.67198   0.67577   0.68381
 Alpha virt. eigenvalues --    0.69308   0.70926   0.71545   0.72895   0.73377
 Alpha virt. eigenvalues --    0.74240   0.74548   0.74938   0.76276   0.76414
 Alpha virt. eigenvalues --    0.77038   0.77525   0.78362   0.78917   0.79850
 Alpha virt. eigenvalues --    0.80487   0.81892   0.82805   0.83942   0.84615
 Alpha virt. eigenvalues --    0.86696   0.87360   0.87648   0.88255   0.89805
 Alpha virt. eigenvalues --    0.91866   0.92182   0.92613   0.93346   0.93618
 Alpha virt. eigenvalues --    0.95146   0.96247   0.98100   0.98153   1.00551
 Alpha virt. eigenvalues --    1.01124   1.01703   1.03161   1.03448   1.05438
 Alpha virt. eigenvalues --    1.07561   1.07638   1.08630   1.12403   1.13282
 Alpha virt. eigenvalues --    1.16095   1.16358   1.18033   1.18122   1.19009
 Alpha virt. eigenvalues --    1.19498   1.20838   1.21691   1.24127   1.25897
 Alpha virt. eigenvalues --    1.26934   1.28560   1.28582   1.28903   1.29873
 Alpha virt. eigenvalues --    1.30992   1.33179   1.33465   1.34622   1.34641
 Alpha virt. eigenvalues --    1.35028   1.36397   1.36908   1.37396   1.38818
 Alpha virt. eigenvalues --    1.41197   1.42353   1.43118   1.44727   1.45169
 Alpha virt. eigenvalues --    1.45385   1.46444   1.46572   1.47447   1.47489
 Alpha virt. eigenvalues --    1.48727   1.48943   1.49193   1.49346   1.51039
 Alpha virt. eigenvalues --    1.51148   1.52937   1.52971   1.55080   1.55466
 Alpha virt. eigenvalues --    1.56373   1.57883   1.58933   1.59661   1.59931
 Alpha virt. eigenvalues --    1.61033   1.61536   1.62029   1.63030   1.63652
 Alpha virt. eigenvalues --    1.63954   1.64952   1.65605   1.66107   1.66899
 Alpha virt. eigenvalues --    1.67767   1.68367   1.68709   1.70211   1.70273
 Alpha virt. eigenvalues --    1.70941   1.72707   1.72998   1.74184   1.75417
 Alpha virt. eigenvalues --    1.75980   1.76311   1.77255   1.78227   1.79139
 Alpha virt. eigenvalues --    1.79430   1.80739   1.80942   1.82833   1.83992
 Alpha virt. eigenvalues --    1.84931   1.85193   1.86126   1.86967   1.87406
 Alpha virt. eigenvalues --    1.89406   1.90068   1.91521   1.92460   1.92926
 Alpha virt. eigenvalues --    1.93264   1.93616   1.94468   1.95676   1.96982
 Alpha virt. eigenvalues --    1.97584   1.97625   1.98283   2.00271   2.02579
 Alpha virt. eigenvalues --    2.03464   2.04190   2.05525   2.06677   2.07165
 Alpha virt. eigenvalues --    2.08456   2.09842   2.11813   2.11940   2.12383
 Alpha virt. eigenvalues --    2.13065   2.15212   2.15867   2.16417   2.17135
 Alpha virt. eigenvalues --    2.18064   2.19785   2.20387   2.21699   2.22678
 Alpha virt. eigenvalues --    2.23080   2.24187   2.24319   2.24562   2.25514
 Alpha virt. eigenvalues --    2.27256   2.28037   2.28236   2.28778   2.29234
 Alpha virt. eigenvalues --    2.29691   2.30349   2.31206   2.31872   2.32399
 Alpha virt. eigenvalues --    2.33913   2.34937   2.36290   2.37010   2.37824
 Alpha virt. eigenvalues --    2.38201   2.38551   2.39199   2.39659   2.40285
 Alpha virt. eigenvalues --    2.40856   2.41272   2.42624   2.43089   2.43494
 Alpha virt. eigenvalues --    2.45330   2.46545   2.47929   2.50756   2.51964
 Alpha virt. eigenvalues --    2.54554   2.56448   2.57594   2.59505   2.62858
 Alpha virt. eigenvalues --    2.63182   2.64764   2.65324   2.69727   2.72460
 Alpha virt. eigenvalues --    2.73946   2.76910   2.78082   2.78387   2.79993
 Alpha virt. eigenvalues --    2.82324   2.83259   2.90808   2.91274   2.92948
 Alpha virt. eigenvalues --    2.93389   2.96542   2.99954   3.05446   3.05832
 Alpha virt. eigenvalues --    3.06541   3.08102   3.08984   3.09418   3.16046
 Alpha virt. eigenvalues --    3.18407   3.23514   3.35663   3.45855   3.89840
 Alpha virt. eigenvalues --    5.80845   6.06978  45.87653
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.111545   0.337887   0.297725  -1.368904  -0.001609  -0.031149
     2  C    0.337887   5.195182   0.844399  -1.510135   0.164800  -0.004269
     3  N    0.297725   0.844399  10.671416  -7.464745   0.915970   0.164267
     4  Rh  -1.368904  -1.510135  -7.464745  69.619109  -7.493105  -1.518910
     5  N   -0.001609   0.164800   0.915970  -7.493105  10.684490   0.847194
     6  C   -0.031149  -0.004269   0.164267  -1.518910   0.847194   5.197503
     7  C   -0.064068  -0.030985  -0.000402  -1.378286   0.299892   0.338112
     8  N   -0.014556   0.000283   0.338804  -8.164734   0.641250   0.150877
     9  N    0.967382   0.148661   0.637411  -8.143474   0.343870   0.000678
    10  N   -0.043465  -0.021067   0.374058  -8.005380   0.304822   0.225136
    11  C    0.016044  -0.040799   0.088240  -1.191292  -0.074227  -0.001006
    12  H   -0.005220   0.003172  -0.000825   0.365343   0.037496  -0.068101
    13  H    0.010156  -0.003185   0.022473   0.376159  -0.030136  -0.097374
    14  H    0.001472   0.001136   0.006411   0.522315  -0.658670   0.136077
    15  H    0.002274  -0.010467  -0.030290   0.387623  -0.218428  -0.314496
    16  H   -0.107646   0.136264  -0.657692   0.520566   0.006330   0.001152
    17  H   -0.079622  -0.313365  -0.218604   0.387071  -0.030224  -0.010483
    18  H    0.154807  -0.067983   0.037739   0.364542  -0.000913   0.003211
    19  H   -0.297108  -0.096770  -0.029872   0.374270   0.022606  -0.003247
    20  H   -0.132095   0.026987  -0.038015  -0.128605   0.060625   0.007217
    21  H    0.031046  -0.000578   0.001145   0.136971  -0.072875  -0.012397
    22  H    0.037586  -0.098557   0.352139  -0.051506  -0.018194   0.001385
    23  H   -0.020863   0.017782   0.099592   0.131174   0.011136   0.009561
    24  H    0.008654   0.001389  -0.018190  -0.051134   0.351176  -0.098688
    25  H    0.017511   0.009617   0.011019   0.132085   0.098750   0.017703
    26  H    0.007023   0.007182   0.060391  -0.128835  -0.037938   0.026978
    27  H   -0.003545  -0.012362  -0.072531   0.136583   0.001069  -0.000303
    28  C    0.000650  -0.001564  -0.074605  -1.193043   0.088276  -0.040733
    29  N    0.142329   0.223342   0.304264  -8.007685   0.376434  -0.020396
    30  H   -0.003025   0.005663   0.003815   0.000234  -0.041895   0.011679
    31  H   -0.006402  -0.004958   0.002055  -0.018614   0.007900   0.017502
    32  H   -0.009828  -0.000955  -0.005985   0.057513  -0.018483   0.002888
    33  H    0.010682  -0.002676   0.004196   0.405909   0.002533  -0.001539
    34  H   -0.008922  -0.001563   0.002478   0.404463   0.004189  -0.002705
    35  H    0.002540   0.002826  -0.018613   0.060037  -0.006031  -0.000943
    36  H   -0.008407   0.011918  -0.041876   0.000039   0.003837   0.005695
    37  H    0.006584   0.017399   0.007778  -0.017771   0.002067  -0.004986
               7          8          9         10         11         12
     1  C   -0.064068  -0.014556   0.967382  -0.043465   0.016044  -0.005220
     2  C   -0.030985   0.000283   0.148661  -0.021067  -0.040799   0.003172
     3  N   -0.000402   0.338804   0.637411   0.374058   0.088240  -0.000825
     4  Rh  -1.378286  -8.164734  -8.143474  -8.005380  -1.191292   0.365343
     5  N    0.299892   0.641250   0.343870   0.304822  -0.074227   0.037496
     6  C    0.338112   0.150877   0.000678   0.225136  -0.001006  -0.068101
     7  C    5.112288   0.969457  -0.014336   0.143716   0.000750   0.154666
     8  N    0.969457  10.608278   0.445251   1.178704   0.225831  -0.531451
     9  N   -0.014336   0.445251  10.596060   0.599178   0.126578  -0.002008
    10  N    0.143716   1.178704   0.599178  10.350683   0.782738   0.018339
    11  C    0.000750   0.225831   0.126578   0.782738   4.969839  -0.006563
    12  H    0.154666  -0.531451  -0.002008   0.018339  -0.006563   1.957958
    13  H   -0.296688  -0.240077  -0.010377  -0.036188   0.005108  -0.487266
    14  H   -0.108241   0.018198   0.014260  -0.004828   0.006152  -0.041712
    15  H   -0.078809  -0.061785  -0.026864   0.006529   0.001593  -0.154150
    16  H    0.001439   0.014225   0.018354   0.000429  -0.003461   0.000328
    17  H    0.002311  -0.026662  -0.061597  -0.024910  -0.003471   0.000122
    18  H   -0.005226  -0.002003  -0.530554   0.008991   0.004951  -0.000026
    19  H    0.010189  -0.010392  -0.238981  -0.023346  -0.003872  -0.000466
    20  H    0.007016   0.020321   0.353160  -0.018106   0.000625   0.000250
    21  H   -0.003517  -0.000365   0.157982   0.010698   0.012469  -0.000631
    22  H    0.008711  -0.040987  -0.023801   0.017615   0.004803  -0.000132
    23  H    0.017531   0.003415  -0.003245  -0.001669  -0.007876   0.005289
    24  H    0.037480  -0.024012  -0.041015   0.040925   0.000514   0.009176
    25  H   -0.020992  -0.003072   0.003381   0.005250   0.007760   0.003370
    26  H   -0.132196   0.352823   0.020331   0.028466   0.031724  -0.024737
    27  H    0.030934   0.158214  -0.000361   0.002854  -0.007461   0.031371
    28  C    0.016164   0.127213   0.225284   0.049561   0.276682   0.005032
    29  N   -0.042671   0.604431   1.176544   0.807250   0.048639   0.009008
    30  H   -0.008356  -0.028613   0.025905   0.277261   0.016746   0.001557
    31  H    0.006627   0.015703  -0.045427   0.404881  -0.066969   0.002140
    32  H    0.002465   0.011346  -0.041937  -0.044895  -0.187450  -0.004710
    33  H   -0.008908  -0.031688   0.036706  -0.527953   0.028008  -0.000485
    34  H    0.010746   0.036602  -0.031529   0.002303   0.029814   0.000985
    35  H   -0.009869  -0.041840   0.010937   0.032247  -0.104892  -0.000198
    36  H   -0.002999   0.026062  -0.028849   0.010467   0.016684  -0.000093
    37  H   -0.006389  -0.045642   0.015752  -0.045122   0.015027   0.003523
              13         14         15         16         17         18
     1  C    0.010156   0.001472   0.002274  -0.107646  -0.079622   0.154807
     2  C   -0.003185   0.001136  -0.010467   0.136264  -0.313365  -0.067983
     3  N    0.022473   0.006411  -0.030290  -0.657692  -0.218604   0.037739
     4  Rh   0.376159   0.522315   0.387623   0.520566   0.387071   0.364542
     5  N   -0.030136  -0.658670  -0.218428   0.006330  -0.030224  -0.000913
     6  C   -0.097374   0.136077  -0.314496   0.001152  -0.010483   0.003211
     7  C   -0.296688  -0.108241  -0.078809   0.001439   0.002311  -0.005226
     8  N   -0.240077   0.018198  -0.061785   0.014225  -0.026662  -0.002003
     9  N   -0.010377   0.014260  -0.026864   0.018354  -0.061597  -0.530554
    10  N   -0.036188  -0.004828   0.006529   0.000429  -0.024910   0.008991
    11  C    0.005108   0.006152   0.001593  -0.003461  -0.003471   0.004951
    12  H   -0.487266  -0.041712  -0.154150   0.000328   0.000122  -0.000026
    13  H    2.231209  -0.145139   0.174955  -0.000242  -0.000887  -0.000464
    14  H   -0.145139   2.006466  -0.485242   0.001747  -0.000805   0.000336
    15  H    0.174955  -0.485242   2.294486  -0.000804  -0.000684   0.000120
    16  H   -0.000242   0.001747  -0.000804   2.005861  -0.484851  -0.041830
    17  H   -0.000887  -0.000805  -0.000684  -0.484851   2.293526  -0.154065
    18  H   -0.000464   0.000336   0.000120  -0.041830  -0.154065   1.957655
    19  H    0.003192  -0.000247  -0.000890  -0.144897   0.174823  -0.487472
    20  H   -0.000248  -0.000288  -0.000694   0.009051  -0.004197  -0.024827
    21  H    0.000463   0.002008  -0.000326   0.002138  -0.004147   0.031301
    22  H    0.009245  -0.000418  -0.002470  -0.030726   0.054208   0.009186
    23  H   -0.011122   0.003884  -0.004469   0.048710  -0.086144   0.003379
    24  H   -0.012647  -0.030647   0.054301  -0.000434  -0.002460  -0.000135
    25  H   -0.005253   0.048721  -0.086154   0.003890  -0.004473   0.005297
    26  H    0.053285   0.009049  -0.004227  -0.000285  -0.000692   0.000251
    27  H   -0.073998   0.002132  -0.004086   0.002005  -0.000306  -0.000632
    28  C   -0.003959  -0.003428  -0.003593   0.006151   0.001611  -0.006450
    29  N   -0.023357   0.000467  -0.025044  -0.004887   0.007047   0.018414
    30  H   -0.005026  -0.003561   0.009836   0.000460  -0.000615  -0.000094
    31  H   -0.002700   0.003154  -0.007430  -0.000361  -0.001512   0.003520
    32  H   -0.000597  -0.001367   0.000930  -0.000375  -0.000174  -0.000195
    33  H    0.000081  -0.000225   0.005402   0.000002  -0.000390   0.000972
    34  H    0.000025   0.000002  -0.000402  -0.000223   0.005369  -0.000486
    35  H   -0.000997  -0.000372  -0.000179  -0.001356   0.000935  -0.004656
    36  H   -0.000420   0.000461  -0.000620  -0.003515   0.009566   0.001568
    37  H   -0.002474  -0.000370  -0.001517   0.003145  -0.007349   0.002125
              19         20         21         22         23         24
     1  C   -0.297108  -0.132095   0.031046   0.037586  -0.020863   0.008654
     2  C   -0.096770   0.026987  -0.000578  -0.098557   0.017782   0.001389
     3  N   -0.029872  -0.038015   0.001145   0.352139   0.099592  -0.018190
     4  Rh   0.374270  -0.128605   0.136971  -0.051506   0.131174  -0.051134
     5  N    0.022606   0.060625  -0.072875  -0.018194   0.011136   0.351176
     6  C   -0.003247   0.007217  -0.012397   0.001385   0.009561  -0.098688
     7  C    0.010189   0.007016  -0.003517   0.008711   0.017531   0.037480
     8  N   -0.010392   0.020321  -0.000365  -0.040987   0.003415  -0.024012
     9  N   -0.238981   0.353160   0.157982  -0.023801  -0.003245  -0.041015
    10  N   -0.023346  -0.018106   0.010698   0.017615  -0.001669   0.040925
    11  C   -0.003872   0.000625   0.012469   0.004803  -0.007876   0.000514
    12  H   -0.000466   0.000250  -0.000631  -0.000132   0.005289   0.009176
    13  H    0.003192  -0.000248   0.000463   0.009245  -0.011122  -0.012647
    14  H   -0.000247  -0.000288   0.002008  -0.000418   0.003884  -0.030647
    15  H   -0.000890  -0.000694  -0.000326  -0.002470  -0.004469   0.054301
    16  H   -0.144897   0.009051   0.002138  -0.030726   0.048710  -0.000434
    17  H    0.174823  -0.004197  -0.004147   0.054208  -0.086144  -0.002460
    18  H   -0.487472  -0.024827   0.031301   0.009186   0.003379  -0.000135
    19  H    2.231433   0.053246  -0.073978  -0.012784  -0.005213   0.009322
    20  H    0.053246   0.782407  -0.125818  -0.001686   0.000813   0.001299
    21  H   -0.073978  -0.125818   0.844210   0.001520  -0.000380   0.001379
    22  H   -0.012784  -0.001686   0.001520   0.775285  -0.126716   0.009999
    23  H   -0.005213   0.000813  -0.000380  -0.126716   0.850851  -0.004549
    24  H    0.009322   0.001299   0.001379   0.009999  -0.004549   0.776139
    25  H   -0.011198  -0.001980   0.004426  -0.004539   0.002408  -0.126779
    26  H   -0.000249  -0.000511   0.000610   0.001291  -0.001984  -0.001675
    27  H    0.000473   0.000614  -0.000106   0.001367   0.004437   0.001522
    28  C    0.005036   0.031597  -0.007324   0.000534   0.007774   0.004807
    29  N   -0.036116   0.028303   0.002683   0.040746   0.005300   0.017601
    30  H   -0.000424   0.000683  -0.002276   0.000077   0.000478   0.002593
    31  H   -0.002485   0.000577   0.006835   0.000658   0.000463  -0.001296
    32  H   -0.000995  -0.001801  -0.003944   0.000739  -0.000074   0.000646
    33  H    0.000029  -0.000655   0.004128   0.000015  -0.000404  -0.000538
    34  H    0.000080   0.001366   0.002049  -0.000536   0.000661   0.000014
    35  H   -0.000628   0.003865  -0.003068   0.000635  -0.001085   0.000743
    36  H   -0.005031   0.005588  -0.001990   0.002570   0.000225   0.000078
    37  H   -0.002688  -0.001818   0.001987  -0.001300   0.001970   0.000655
              25         26         27         28         29         30
     1  C    0.017511   0.007023  -0.003545   0.000650   0.142329  -0.003025
     2  C    0.009617   0.007182  -0.012362  -0.001564   0.223342   0.005663
     3  N    0.011019   0.060391  -0.072531  -0.074605   0.304264   0.003815
     4  Rh   0.132085  -0.128835   0.136583  -1.193043  -8.007685   0.000234
     5  N    0.098750  -0.037938   0.001069   0.088276   0.376434  -0.041895
     6  C    0.017703   0.026978  -0.000303  -0.040733  -0.020396   0.011679
     7  C   -0.020992  -0.132196   0.030934   0.016164  -0.042671  -0.008356
     8  N   -0.003072   0.352823   0.158214   0.127213   0.604431  -0.028613
     9  N    0.003381   0.020331  -0.000361   0.225284   1.176544   0.025905
    10  N    0.005250   0.028466   0.002854   0.049561   0.807250   0.277261
    11  C    0.007760   0.031724  -0.007461   0.276682   0.048639   0.016746
    12  H    0.003370  -0.024737   0.031371   0.005032   0.009008   0.001557
    13  H   -0.005253   0.053285  -0.073998  -0.003959  -0.023357  -0.005026
    14  H    0.048721   0.009049   0.002132  -0.003428   0.000467  -0.003561
    15  H   -0.086154  -0.004227  -0.004086  -0.003593  -0.025044   0.009836
    16  H    0.003890  -0.000285   0.002005   0.006151  -0.004887   0.000460
    17  H   -0.004473  -0.000692  -0.000306   0.001611   0.007047  -0.000615
    18  H    0.005297   0.000251  -0.000632  -0.006450   0.018414  -0.000094
    19  H   -0.011198  -0.000249   0.000473   0.005036  -0.036116  -0.000424
    20  H   -0.001980  -0.000511   0.000614   0.031597   0.028303   0.000683
    21  H    0.004426   0.000610  -0.000106  -0.007324   0.002683  -0.002276
    22  H   -0.004539   0.001291   0.001367   0.000534   0.040746   0.000077
    23  H    0.002408  -0.001984   0.004437   0.007774   0.005300   0.000478
    24  H   -0.126779  -0.001675   0.001522   0.004807   0.017601   0.002593
    25  H    0.851145   0.000811  -0.000373  -0.007858  -0.001629   0.000221
    26  H    0.000811   0.782855  -0.125883   0.000613  -0.017996   0.005684
    27  H   -0.000373  -0.125883   0.843802   0.012522   0.010255  -0.002014
    28  C   -0.007858   0.000613   0.012522   4.970985   0.783545   0.016761
    29  N   -0.001629  -0.017996   0.010255   0.783545  10.349408   0.010238
    30  H    0.000221   0.005684  -0.002014   0.016761   0.010238   0.861145
    31  H    0.001970  -0.001846   0.002006   0.014939  -0.044728  -0.126661
    32  H   -0.001093   0.004028  -0.003087  -0.105284   0.033337  -0.077373
    33  H    0.000670   0.001351   0.002042   0.029556   0.001862   0.009086
    34  H   -0.000403  -0.000696   0.004138   0.027928  -0.526721   0.009425
    35  H   -0.000086  -0.001792  -0.003944  -0.188204  -0.045530  -0.004696
    36  H    0.000482   0.000694  -0.002287   0.016703   0.277347  -0.000236
    37  H    0.000464   0.000582   0.006884  -0.067192   0.404814   0.002407
              31         32         33         34         35         36
     1  C   -0.006402  -0.009828   0.010682  -0.008922   0.002540  -0.008407
     2  C   -0.004958  -0.000955  -0.002676  -0.001563   0.002826   0.011918
     3  N    0.002055  -0.005985   0.004196   0.002478  -0.018613  -0.041876
     4  Rh  -0.018614   0.057513   0.405909   0.404463   0.060037   0.000039
     5  N    0.007900  -0.018483   0.002533   0.004189  -0.006031   0.003837
     6  C    0.017502   0.002888  -0.001539  -0.002705  -0.000943   0.005695
     7  C    0.006627   0.002465  -0.008908   0.010746  -0.009869  -0.002999
     8  N    0.015703   0.011346  -0.031688   0.036602  -0.041840   0.026062
     9  N   -0.045427  -0.041937   0.036706  -0.031529   0.010937  -0.028849
    10  N    0.404881  -0.044895  -0.527953   0.002303   0.032247   0.010467
    11  C   -0.066969  -0.187450   0.028008   0.029814  -0.104892   0.016684
    12  H    0.002140  -0.004710  -0.000485   0.000985  -0.000198  -0.000093
    13  H   -0.002700  -0.000597   0.000081   0.000025  -0.000997  -0.000420
    14  H    0.003154  -0.001367  -0.000225   0.000002  -0.000372   0.000461
    15  H   -0.007430   0.000930   0.005402  -0.000402  -0.000179  -0.000620
    16  H   -0.000361  -0.000375   0.000002  -0.000223  -0.001356  -0.003515
    17  H   -0.001512  -0.000174  -0.000390   0.005369   0.000935   0.009566
    18  H    0.003520  -0.000195   0.000972  -0.000486  -0.004656   0.001568
    19  H   -0.002485  -0.000995   0.000029   0.000080  -0.000628  -0.005031
    20  H    0.000577  -0.001801  -0.000655   0.001366   0.003865   0.005588
    21  H    0.006835  -0.003944   0.004128   0.002049  -0.003068  -0.001990
    22  H    0.000658   0.000739   0.000015  -0.000536   0.000635   0.002570
    23  H    0.000463  -0.000074  -0.000404   0.000661  -0.001085   0.000225
    24  H   -0.001296   0.000646  -0.000538   0.000014   0.000743   0.000078
    25  H    0.001970  -0.001093   0.000670  -0.000403  -0.000086   0.000482
    26  H   -0.001846   0.004028   0.001351  -0.000696  -0.001792   0.000694
    27  H    0.002006  -0.003087   0.002042   0.004138  -0.003944  -0.002287
    28  C    0.014939  -0.105284   0.029556   0.027928  -0.188204   0.016703
    29  N   -0.044728   0.033337   0.001862  -0.526721  -0.045530   0.277347
    30  H   -0.126661  -0.077373   0.009086   0.009425  -0.004696  -0.000236
    31  H    0.721027   0.040520  -0.020969   0.005462  -0.016641   0.002412
    32  H    0.040520   2.243567  -0.471386  -0.140399   0.168806  -0.004675
    33  H   -0.020969  -0.471386   1.969727  -0.031050  -0.140238   0.009392
    34  H    0.005462  -0.140399  -0.031050   1.969147  -0.471277   0.009127
    35  H   -0.016641   0.168806  -0.140238  -0.471277   2.243294  -0.077294
    36  H    0.002412  -0.004675   0.009392   0.009127  -0.077294   0.861043
    37  H   -0.003781  -0.016640   0.005463  -0.021109   0.040590  -0.126615
              37
     1  C    0.006584
     2  C    0.017399
     3  N    0.007778
     4  Rh  -0.017771
     5  N    0.002067
     6  C   -0.004986
     7  C   -0.006389
     8  N   -0.045642
     9  N    0.015752
    10  N   -0.045122
    11  C    0.015027
    12  H    0.003523
    13  H   -0.002474
    14  H   -0.000370
    15  H   -0.001517
    16  H    0.003145
    17  H   -0.007349
    18  H    0.002125
    19  H   -0.002688
    20  H   -0.001818
    21  H    0.001987
    22  H   -0.001300
    23  H    0.001970
    24  H    0.000655
    25  H    0.000464
    26  H    0.000582
    27  H    0.006884
    28  C   -0.067192
    29  N    0.404814
    30  H    0.002407
    31  H   -0.003781
    32  H   -0.016640
    33  H    0.005463
    34  H   -0.021109
    35  H    0.040590
    36  H   -0.126615
    37  H    0.720868
 Mulliken charges:
               1
     1  C    1.042537
     2  C    1.066349
     3  N    0.424459
     4  Rh  -1.545850
     5  N    0.426015
     6  C    1.066911
     7  C    1.042446
     8  N    0.320592
     9  N    0.320691
    10  N    0.113831
    11  C    0.982022
    12  H   -0.280353
    13  H   -0.395532
    14  H   -0.298887
    15  H   -0.413929
    16  H   -0.298664
    17  H   -0.413901
    18  H   -0.280355
    19  H   -0.395351
    20  H    0.085735
    21  H    0.057672
    22  H    0.084041
    23  H    0.048961
    24  H    0.083789
    25  H    0.048933
    26  H    0.085521
    27  H    0.058055
    28  C    0.983314
    29  N    0.113152
    30  H    0.032907
    31  H    0.112428
    32  H   -0.423084
    33  H   -0.288707
    34  H   -0.288350
    35  H   -0.423025
    36  H    0.032950
    37  H    0.112676
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.366831
     2  C    0.353785
     3  N    0.557461
     4  Rh  -1.545850
     5  N    0.558737
     6  C    0.354095
     7  C    0.366561
     8  N    0.464168
     9  N    0.464098
    10  N    0.259166
    11  C    0.270231
    28  C    0.271939
    29  N    0.258779
 Electronic spatial extent (au):  <R**2>=           2776.5181
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0018    Y=              0.0342    Z=              0.0019  Tot=              0.0343
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -30.6347   YY=            -30.8605   ZZ=            -52.2527
   XY=              0.0114   XZ=              0.1000   YZ=             -0.0020
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.2813   YY=              7.0554   ZZ=            -14.3367
   XY=              0.0114   XZ=              0.1000   YZ=             -0.0020
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -2.4419  YYY=             37.4148  ZZZ=              0.0019  XYY=              2.4206
  XXY=            -36.6198  XXZ=             -0.0438  XZZ=             -0.0240  YZZ=             -0.3943
  YYZ=              0.0382  XYZ=             -0.7809
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -985.6303 YYYY=           -952.9121 ZZZZ=           -377.3695 XXXY=              0.3368
 XXXZ=             34.9036 YYYX=              0.0084 YYYZ=              2.4180 ZZZX=              4.7075
 ZZZY=             -0.1158 XXYY=           -320.3992 XXZZ=           -231.5174 YYZZ=           -233.9003
 XXYZ=             -2.3943 YYXZ=            -37.2480 ZZXY=             -0.1022
 N-N= 1.198169564059D+03 E-N=-3.904301951344D+03  KE= 6.072245067962D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 03:39:30 2021, MaxMem= 10737418240 cpu:              11.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.58655459D-04 1.43809002D-02 7.25989390D-04
 Polarizability= 1.49422457D+02-4.41604134D-03 1.48319784D+02
                -4.53560410D-02-4.68735167D-05 1.20631710D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0249    0.0233       -0.0022   -0.0023
 2     -0.0249   -0.0233        0.0011    0.0008       -0.5797   -0.5804
 3      0.0022    0.0023       14.6226   14.6245       -0.0009   -0.0008
 4     -0.0011   -0.0008        0.0000    0.0000        0.0026    0.0023
 5    -14.0429  -14.0441       -0.0026   -0.0023        0.0231    0.0233
 6      0.0009    0.0008       -0.0231   -0.0233       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0700   -0.0700       -0.0069   -0.0069
 2     -0.0023   -0.0023       -0.0000    0.0000       -0.0069   -0.0069
 3     -0.0023   -0.0023       -0.0700   -0.0700        0.0000    0.0000
 4     -0.0700   -0.0700        0.0023    0.0023       -1.7412   -1.7412
 5      0.0069    0.0069       43.8736   43.8736       -0.0023   -0.0023
 6    -42.1323  -42.1323       -0.0069   -0.0069        0.0700    0.0700
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1671    0.0000        0.0734   -0.0933       -0.0334    0.0092
 2      0.8184    0.0933       -0.0637   -0.0030        2.2274    2.3217
 3      0.0329   -0.0092      -58.5996  -58.4981       -0.0800    0.0030
 4     -0.1273    0.0030       -0.1281    0.0000        0.1029   -0.0092
 5     55.6637   56.1764        0.0024    0.0092       -0.0067   -0.0933
 6      0.0533   -0.0030        0.1626    0.0933       -0.0102    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1480    0.0000        4.2600    4.4448       -0.1966   -0.1693
 2     -4.4561   -4.4448        0.2501   -0.1522       -8.1468   -8.4718
 3     -0.2411    0.1693       -7.7793   -7.5025        0.4386    0.1522
 4      0.3785    0.1522        0.2145    0.0000       -0.6133    0.1693
 5     15.4892   15.9742       -0.0331   -0.1693        4.9838    4.4448
 6     -0.5321   -0.1522       -4.4511   -4.4448        0.6866    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.2917    6.5147       84.0892   84.4316       -0.1394   -0.3495
 2      6.6274    6.6883       90.7455   90.6460       -0.4870   -0.3495
 3      6.5243    6.6883       84.1221   84.4316       -0.4276   -0.4147
 4     -6.0526   -6.2144       -0.0274   -0.1736        3.1100    3.1157
 5      0.0192   -0.0653      -36.2345  -36.6580        0.8552    0.1736
 6     32.9064   33.5424        0.1220    0.0653        6.6908    6.2144
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.4836  -11.2898   -6.5340   -0.0004   -0.0003   -0.0002
 Low frequencies ---   84.2247   87.9363  101.8202
 Diagonal vibrational polarizability:
       14.0892078      12.8852557      13.4777204
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     84.1902                87.9342               101.7887
 Red. masses --      2.9562                 2.9808                 2.8609
 Frc consts  --      0.0123                 0.0136                 0.0175
 IR Inten    --      0.0095                 0.0097                 0.0472
 RamAct Fr= 1--      1.0033                 0.9530                 0.1823
  Dep-P Fr= 1--      0.7490                 0.7500                 0.7479
  Dep-U Fr= 1--      0.8565                 0.8571                 0.8558
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1432                 0.1361                 0.0260
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.4987                -0.2623                 0.0993
 Delta2 Fr= 1--     -0.0788                -0.0557                -0.0083
 Raman1 Fr= 1--       4.013                  3.812                  0.729
 ROA1   Fr= 1--     -50.401                -26.965                  9.269
 CID1   Fr= 1--     -12.559                 -7.073                 12.712
 Raman2 Fr= 1--       1.719                  1.634                  0.312
 ROA2   Fr= 1--     -11.340                 -5.850                  2.450
 CID2   Fr= 1--      -6.598                 -3.581                  7.852
 Raman3 Fr= 1--       3.437                  3.267                  0.624
 ROA3   Fr= 1--     -50.401                -26.965                  9.269
 CID3   Fr= 1--     -14.664                 -8.253                 14.854
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04   0.01    -0.11   0.15   0.08     0.07   0.03  -0.09
     2   6    -0.08   0.09   0.01    -0.02   0.18   0.08    -0.03  -0.03  -0.09
     3   7    -0.08   0.00   0.01     0.01  -0.02  -0.05    -0.05   0.02   0.02
     4  45    -0.02  -0.04   0.01     0.03  -0.02  -0.01     0.01   0.00   0.06
     5   7     0.03  -0.02   0.04     0.07   0.01  -0.03    -0.06  -0.02   0.02
     6   6     0.07   0.19  -0.08     0.06  -0.02   0.03    -0.03   0.03  -0.09
     7   6     0.15   0.14  -0.08     0.00  -0.04   0.03     0.06  -0.04  -0.08
     8   7    -0.03   0.01   0.04     0.01  -0.03   0.02     0.03  -0.09   0.03
     9   7     0.01  -0.02  -0.03     0.03   0.03  -0.02     0.03   0.08   0.04
    10   7     0.04  -0.06   0.02     0.00   0.02   0.02     0.05  -0.04   0.02
    11   6     0.08  -0.07   0.03    -0.14   0.04  -0.02    -0.11   0.04  -0.12
    12   1     0.17   0.29  -0.14    -0.01  -0.07   0.08     0.08  -0.01  -0.14
    13   1     0.31   0.04  -0.09    -0.04  -0.04   0.00     0.12  -0.09  -0.10
    14   1     0.20   0.27  -0.14     0.05  -0.02   0.03    -0.01   0.06  -0.15
    15   1    -0.09   0.29  -0.10     0.09  -0.02   0.06    -0.10   0.07  -0.09
    16   1    -0.15   0.13   0.04    -0.13   0.25   0.14    -0.00  -0.07  -0.16
    17   1    -0.03   0.14  -0.01     0.13   0.26   0.11    -0.10  -0.08  -0.09
    18   1    -0.07   0.10   0.00    -0.13   0.28   0.15     0.08  -0.00  -0.15
    19   1    -0.13  -0.00   0.04    -0.27   0.07   0.08     0.14   0.08  -0.10
    20   1     0.05   0.02  -0.09     0.12   0.11  -0.11     0.00   0.05   0.12
    21   1     0.04  -0.08  -0.03     0.04  -0.09  -0.02     0.03   0.19   0.03
    22   1    -0.14  -0.02  -0.01    -0.10  -0.06  -0.17    -0.02   0.03   0.09
    23   1    -0.07  -0.01   0.01     0.13  -0.12  -0.03    -0.14   0.06   0.02
    24   1     0.15  -0.07   0.16     0.06   0.01  -0.08    -0.03  -0.02   0.09
    25   1    -0.08  -0.11   0.03     0.12   0.05  -0.02    -0.14  -0.05   0.02
    26   1    -0.12   0.11   0.15     0.02  -0.04   0.02     0.01  -0.06   0.11
    27   1    -0.06  -0.12   0.03    -0.01  -0.03   0.01     0.02  -0.19   0.03
    28   6     0.07  -0.01  -0.01    -0.15  -0.07  -0.03    -0.11  -0.03  -0.12
    29   7    -0.02  -0.01  -0.02    -0.03  -0.07  -0.00     0.05   0.04   0.02
    30   1     0.03  -0.10   0.01     0.03   0.09   0.09     0.09  -0.01   0.14
    31   1     0.04  -0.04   0.02     0.06  -0.03  -0.02     0.14  -0.15  -0.05
    32   1     0.07  -0.12   0.05    -0.15   0.14  -0.00    -0.11   0.21  -0.12
    33   1     0.14  -0.07   0.04    -0.21   0.03  -0.04    -0.20  -0.02  -0.22
    34   1     0.09  -0.01   0.00    -0.24  -0.06  -0.06    -0.19   0.03  -0.21
    35   1     0.09   0.04  -0.03    -0.15  -0.17  -0.04    -0.12  -0.20  -0.11
    36   1    -0.04   0.02  -0.08    -0.01  -0.13   0.04     0.09   0.01   0.15
    37   1    -0.06  -0.04   0.00     0.00  -0.01  -0.02     0.15   0.15  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.5414               145.1794               163.0770
 Red. masses --      2.9263                 2.9334                 2.6836
 Frc consts  --      0.0360                 0.0364                 0.0420
 IR Inten    --      0.7408                 0.5929                 0.1302
 RamAct Fr= 1--      0.3481                 0.2262                 1.5280
  Dep-P Fr= 1--      0.7456                 0.6968                 0.7264
  Dep-U Fr= 1--      0.8543                 0.8213                 0.8415
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0006
 Beta2  Fr= 1--      0.0496                 0.0310                 0.2143
 AlphaG Fr= 1--      0.0000                -0.0002                -0.0084
 Gamma2 Fr= 1--      1.1267                 0.9150                -2.0148
 Delta2 Fr= 1--      0.2421                 0.1704                -0.4858
 Raman1 Fr= 1--       1.393                  0.905                  6.112
 ROA1   Fr= 1--     115.911                 93.298               -208.963
 CID1   Fr= 1--      83.238                103.093                -34.188
 Raman2 Fr= 1--       0.595                  0.372                  2.572
 ROA2   Fr= 1--      25.104                 20.598                -44.468
 CID2   Fr= 1--      42.207                 55.424                -17.291
 Raman3 Fr= 1--       1.190                  0.743                  5.143
 ROA3   Fr= 1--     115.911                 93.298               -208.963
 CID3   Fr= 1--      97.438                125.521                -40.627
 RC180  Fr= 1--       0.709                  0.643                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.07    -0.06   0.09  -0.05    -0.07   0.07   0.01
     2   6     0.05  -0.10   0.06    -0.01  -0.06  -0.07     0.02  -0.09  -0.01
     3   7     0.07  -0.08  -0.03    -0.00  -0.10  -0.09     0.03  -0.07  -0.06
     4  45    -0.01   0.01   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     5   7     0.06   0.12  -0.08     0.05  -0.03   0.04    -0.04  -0.07   0.06
     6   6     0.04   0.11  -0.00     0.05   0.01   0.09    -0.02  -0.09   0.01
     7   6    -0.07  -0.06   0.02     0.02   0.07   0.08     0.07   0.07  -0.01
     8   7    -0.09  -0.09   0.09    -0.01   0.06   0.01     0.06   0.08  -0.08
     9   7    -0.08   0.03   0.08    -0.04   0.11   0.05    -0.06   0.09   0.08
    10   7     0.07  -0.05   0.00    -0.11  -0.04  -0.09     0.10   0.01   0.07
    11   6     0.07  -0.02  -0.05    -0.03  -0.01  -0.13     0.04  -0.00   0.08
    12   1    -0.10  -0.11   0.11     0.02   0.11   0.09     0.09   0.14  -0.08
    13   1    -0.13  -0.11  -0.11     0.03   0.08   0.11     0.13   0.11   0.12
    14   1     0.09   0.17  -0.09     0.07   0.01   0.13    -0.08  -0.15   0.10
    15   1     0.05   0.19   0.13     0.04   0.01   0.07    -0.01  -0.18  -0.11
    16   1     0.10  -0.13   0.02    -0.00  -0.09  -0.15     0.07  -0.15  -0.10
    17   1     0.06  -0.15   0.15    -0.00  -0.11   0.03     0.00  -0.18   0.11
    18   1    -0.07   0.02   0.14    -0.07   0.16  -0.00    -0.09   0.14   0.09
    19   1    -0.08   0.04  -0.01    -0.10   0.14  -0.15    -0.13   0.12  -0.12
    20   1    -0.07   0.02   0.16    -0.01   0.11   0.17    -0.03   0.09   0.18
    21   1    -0.15   0.08   0.07    -0.09   0.20   0.04    -0.11   0.17   0.07
    22   1     0.10  -0.05  -0.14    -0.01  -0.08  -0.18     0.06  -0.06  -0.13
    23   1     0.13  -0.16  -0.02     0.01  -0.20  -0.07     0.06  -0.14  -0.06
    24   1     0.08   0.09  -0.22     0.07  -0.03   0.05    -0.06  -0.05   0.13
    25   1     0.11   0.24  -0.06     0.08  -0.05   0.04    -0.06  -0.14   0.05
    26   1    -0.06  -0.08   0.23    -0.04   0.07  -0.02     0.03   0.09  -0.17
    27   1    -0.18  -0.19   0.08    -0.03   0.10   0.01     0.11   0.16  -0.07
    28   6     0.04   0.02  -0.12     0.07   0.00   0.07    -0.04  -0.00  -0.08
    29   7    -0.02   0.06  -0.06     0.13  -0.01   0.07    -0.09   0.01  -0.07
    30   1     0.08  -0.09   0.07    -0.14  -0.04  -0.20     0.12  -0.01   0.16
    31   1     0.12  -0.06  -0.03    -0.21  -0.07  -0.04     0.18   0.02   0.03
    32   1     0.03  -0.02  -0.01     0.08   0.03  -0.25    -0.05  -0.03   0.18
    33   1     0.12  -0.04  -0.07    -0.14  -0.03  -0.18     0.13   0.00   0.11
    34   1     0.00   0.05  -0.17     0.19  -0.01   0.10    -0.14   0.01  -0.11
    35   1     0.08  -0.01  -0.17    -0.04   0.04   0.19     0.05  -0.04  -0.18
    36   1    -0.03   0.09  -0.08     0.16   0.02   0.19    -0.11  -0.01  -0.15
    37   1    -0.04   0.09  -0.05     0.23  -0.03   0.01    -0.17   0.03  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    215.2628               217.8485               221.5678
 Red. masses --      2.8013                 2.7824                 2.9697
 Frc consts  --      0.0765                 0.0778                 0.0859
 IR Inten    --      4.4550                 5.9166                15.5955
 RamAct Fr= 1--      2.7366                 2.7646                 0.0731
  Dep-P Fr= 1--      0.7229                 0.7500                 0.7379
  Dep-U Fr= 1--      0.8391                 0.8571                 0.8492
 Alpha2 Fr= 1--      0.0013                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3827                 0.3949                 0.0103
 AlphaG Fr= 1--     -0.0057                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.4537                -0.5562                -0.1251
 Delta2 Fr= 1--      0.1428                 0.0338                -0.0293
 Raman1 Fr= 1--      10.946                 11.059                  0.292
 ROA1   Fr= 1--     -38.990                -52.316                -12.941
 CID1   Fr= 1--      -3.562                 -4.731                -44.248
 Raman2 Fr= 1--       4.593                  4.739                  0.124
 ROA2   Fr= 1--     -12.032                -13.620                 -2.767
 CID2   Fr= 1--      -2.620                 -2.874                -22.282
 Raman3 Fr= 1--       9.185                  9.478                  0.248
 ROA3   Fr= 1--     -38.990                -52.316                -12.941
 CID3   Fr= 1--      -4.245                 -5.519                -52.105
 RC180  Fr= 1--       0.678                  0.714                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01    -0.07  -0.08  -0.00     0.00   0.04  -0.04
     2   6    -0.09  -0.00  -0.01    -0.05  -0.01  -0.00    -0.01   0.03  -0.04
     3   7    -0.11   0.10   0.10    -0.04  -0.06  -0.06    -0.01  -0.10  -0.04
     4  45     0.00  -0.01  -0.00    -0.01   0.00   0.02     0.00  -0.00   0.07
     5   7     0.11   0.09  -0.09    -0.03   0.07  -0.06    -0.00   0.10  -0.04
     6   6     0.09  -0.00   0.01    -0.05   0.01   0.00    -0.01  -0.03  -0.04
     7   6    -0.01   0.00   0.01    -0.06   0.08  -0.00    -0.00  -0.03  -0.04
     8   7     0.06   0.07  -0.08     0.00   0.13  -0.05     0.11   0.03  -0.04
     9   7    -0.06   0.08   0.09    -0.00  -0.12  -0.05     0.10  -0.03  -0.04
    10   7     0.02  -0.07  -0.02     0.14  -0.03   0.08    -0.12  -0.06  -0.04
    11   6     0.01  -0.10   0.02     0.02   0.03  -0.02     0.02  -0.06  -0.04
    12   1    -0.04  -0.07   0.10    -0.06   0.04   0.00     0.00  -0.12  -0.03
    13   1    -0.12   0.06  -0.01    -0.11   0.13   0.03    -0.08   0.01  -0.03
    14   1     0.04  -0.03   0.05    -0.09  -0.03   0.07    -0.10  -0.07  -0.04
    15   1     0.18  -0.04   0.05     0.02  -0.05  -0.03     0.07  -0.08  -0.03
    16   1    -0.04  -0.04  -0.05    -0.09   0.03   0.06    -0.10   0.07  -0.04
    17   1    -0.19  -0.04  -0.05     0.01   0.05  -0.03     0.07   0.07  -0.03
    18   1     0.04  -0.07  -0.10    -0.06  -0.04  -0.00     0.01   0.12  -0.04
    19   1     0.13   0.06   0.01    -0.11  -0.12   0.03    -0.07  -0.01  -0.03
    20   1    -0.08   0.03   0.24    -0.00  -0.10  -0.16     0.12   0.01  -0.17
    21   1    -0.13   0.21   0.07     0.06  -0.20  -0.04     0.21  -0.12  -0.02
    22   1    -0.08   0.10   0.26    -0.06  -0.06  -0.16    -0.05  -0.11  -0.18
    23   1    -0.19   0.25   0.08     0.01  -0.16  -0.04     0.01  -0.25  -0.02
    24   1     0.08   0.09  -0.25    -0.06   0.07  -0.17    -0.05   0.11  -0.18
    25   1     0.20   0.23  -0.07     0.02   0.17  -0.05     0.02   0.25  -0.02
    26   1     0.08   0.03  -0.23     0.01   0.10  -0.17     0.13  -0.01  -0.18
    27   1     0.13   0.19  -0.07     0.07   0.21  -0.04     0.22   0.12  -0.02
    28   6    -0.01  -0.10  -0.02     0.02  -0.04  -0.02     0.02   0.06  -0.04
    29   7    -0.02  -0.07   0.02     0.14   0.02   0.08    -0.12   0.06  -0.04
    30   1     0.02  -0.07  -0.01     0.18  -0.05   0.25    -0.16  -0.09  -0.18
    31   1     0.02  -0.05  -0.02     0.28  -0.08  -0.01    -0.25  -0.06   0.04
    32   1    -0.02  -0.14   0.05     0.02   0.18  -0.02     0.02  -0.15  -0.04
    33   1     0.04  -0.08   0.06    -0.06  -0.01  -0.10     0.10  -0.07  -0.03
    34   1    -0.05  -0.08  -0.06    -0.06   0.01  -0.10     0.09   0.06  -0.05
    35   1     0.01  -0.13  -0.05     0.01  -0.18  -0.02     0.03   0.14  -0.05
    36   1    -0.02  -0.08   0.01     0.18   0.04   0.25    -0.16   0.09  -0.18
    37   1    -0.03  -0.06   0.02     0.28   0.07  -0.00    -0.25   0.07   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    249.8713               290.3703               302.3422
 Red. masses --      4.7062                 2.0253                 2.0123
 Frc consts  --      0.1731                 0.1006                 0.1084
 IR Inten    --      0.0317                 1.6767                 1.5088
 RamAct Fr= 1--     15.3073                 0.8835                 1.7989
  Dep-P Fr= 1--      0.0773                 0.7460                 0.5417
  Dep-U Fr= 1--      0.1434                 0.8545                 0.7027
 Alpha2 Fr= 1--      0.2832                 0.0001                 0.0072
 Beta2  Fr= 1--      0.3659                 0.1258                 0.2107
 AlphaG Fr= 1--      0.2350                -0.0001                -0.0263
 Gamma2 Fr= 1--      5.7955                 0.3567                -1.4194
 Delta2 Fr= 1--      0.3720                -0.1755                -0.2788
 Raman1 Fr= 1--      61.229                  3.534                  7.196
 ROA1   Fr= 1--     568.271                 28.622               -145.186
 CID1   Fr= 1--       9.281                  8.099                -20.177
 Raman2 Fr= 1--       4.391                  1.510                  2.528
 ROA2   Fr= 1--     136.115                  9.964                -31.836
 CID2   Fr= 1--      30.999                  6.598                -12.592
 Raman3 Fr= 1--       8.782                  3.020                  5.056
 ROA3   Fr= 1--     568.271                 28.622               -145.186
 CID3   Fr= 1--      64.710                  9.477                -28.713
 RC180  Fr= 1--      -0.713                  0.709                  0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.09   0.01    -0.11   0.04   0.00    -0.10   0.04   0.01
     2   6    -0.16  -0.08   0.00    -0.04  -0.11  -0.01     0.01  -0.09  -0.00
     3   7    -0.15  -0.00  -0.01    -0.04   0.03   0.02     0.01   0.07   0.01
     4  45     0.00  -0.00   0.00     0.04  -0.00   0.00     0.00   0.04   0.00
     5   7     0.15  -0.01   0.01    -0.04  -0.04   0.03    -0.01   0.07  -0.01
     6   6     0.16  -0.09  -0.00    -0.03   0.12  -0.01    -0.02  -0.08   0.00
     7   6     0.14  -0.10  -0.01    -0.11  -0.04   0.00     0.09   0.03  -0.01
     8   7     0.09  -0.11  -0.03     0.05   0.04  -0.00    -0.03  -0.04   0.06
     9   7    -0.09  -0.11   0.03     0.04  -0.04   0.00     0.03  -0.04  -0.06
    10   7    -0.01   0.12   0.05    -0.00   0.03  -0.02     0.01  -0.04  -0.04
    11   6    -0.01   0.18  -0.02    -0.00   0.01   0.01    -0.01  -0.06  -0.02
    12   1     0.13  -0.05   0.02    -0.14  -0.24   0.10     0.12   0.17  -0.12
    13   1     0.16  -0.11  -0.01    -0.30  -0.00  -0.12     0.25  -0.01   0.09
    14   1     0.09  -0.12  -0.01     0.12   0.23  -0.13    -0.16  -0.18   0.09
    15   1     0.20  -0.12   0.00    -0.15   0.27   0.10     0.08  -0.21  -0.09
    16   1    -0.10  -0.11   0.01     0.09  -0.21  -0.12     0.16  -0.20  -0.10
    17   1    -0.20  -0.11  -0.00    -0.15  -0.24   0.09    -0.11  -0.23   0.10
    18   1    -0.14  -0.05  -0.02    -0.12   0.22   0.09    -0.13   0.20   0.13
    19   1    -0.17  -0.11   0.01    -0.27   0.01  -0.10    -0.28   0.01  -0.10
    20   1    -0.08  -0.10   0.03     0.11   0.02  -0.08     0.07   0.02  -0.23
    21   1    -0.09  -0.11   0.03     0.08  -0.12   0.01     0.10  -0.19  -0.04
    22   1    -0.13   0.00   0.03     0.02   0.05   0.14     0.10   0.10   0.12
    23   1    -0.16   0.04  -0.02    -0.10   0.13   0.01    -0.05   0.16   0.00
    24   1     0.12  -0.00  -0.03     0.03  -0.06   0.17    -0.10   0.10  -0.11
    25   1     0.16   0.04   0.02    -0.12  -0.15   0.01     0.05   0.15  -0.00
    26   1     0.08  -0.10  -0.03     0.12  -0.03  -0.10    -0.06   0.02   0.22
    27   1     0.09  -0.11  -0.03     0.10   0.13   0.01    -0.10  -0.18   0.05
    28   6     0.02   0.18   0.02    -0.00  -0.01   0.00     0.01  -0.06   0.02
    29   7     0.01   0.12  -0.05    -0.00  -0.02  -0.02    -0.01  -0.04   0.04
    30   1    -0.01   0.13   0.04    -0.01   0.06  -0.07     0.02  -0.04  -0.02
    31   1    -0.03   0.07   0.05    -0.05   0.03   0.00     0.02  -0.05  -0.05
    32   1     0.02   0.25  -0.06    -0.00  -0.01   0.01     0.01  -0.06  -0.05
    33   1    -0.06   0.13  -0.10    -0.00   0.03   0.03    -0.04  -0.05  -0.01
    34   1     0.07   0.13   0.10    -0.01  -0.02   0.02     0.04  -0.05   0.01
    35   1    -0.01   0.25   0.06     0.00   0.01  -0.00    -0.01  -0.05   0.05
    36   1     0.01   0.13  -0.05    -0.01  -0.06  -0.07    -0.02  -0.05   0.01
    37   1     0.02   0.07  -0.05    -0.04  -0.02  -0.00    -0.03  -0.05   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    306.5561               330.0604               331.5285
 Red. masses --      1.8432                 3.0968                 3.1757
 Frc consts  --      0.1021                 0.1988                 0.2057
 IR Inten    --      0.7089                 6.2467                 7.4720
 RamAct Fr= 1--      1.0935                 2.0787                 2.0503
  Dep-P Fr= 1--      0.1696                 0.7432                 0.7489
  Dep-U Fr= 1--      0.2901                 0.8527                 0.8565
 Alpha2 Fr= 1--      0.0161                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0529                 0.2954                 0.2927
 AlphaG Fr= 1--      0.0449                -0.0022                -0.0003
 Gamma2 Fr= 1--      0.1132                -1.9163                -2.9961
 Delta2 Fr= 1--     -0.0953                -0.1171                -0.0907
 Raman1 Fr= 1--       4.374                  8.315                  8.201
 ROA1   Fr= 1--       7.814               -187.709               -290.531
 CID1   Fr= 1--       1.786                -22.575                -35.425
 Raman2 Fr= 1--       0.634                  3.545                  3.512
 ROA2   Fr= 1--       3.478                -45.054                -71.182
 CID2   Fr= 1--       5.482                -12.709                -20.268
 Raman3 Fr= 1--       1.269                  7.090                  7.024
 ROA3   Fr= 1--       7.814               -187.709               -290.531
 CID3   Fr= 1--       6.158                -26.476                -41.363
 RC180  Fr= 1--      -0.420                  0.705                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.02  -0.06  -0.00    -0.02  -0.10   0.00
     2   6     0.02  -0.01   0.01     0.00   0.03  -0.00    -0.12   0.03   0.00
     3   7     0.01   0.01   0.04     0.02  -0.00  -0.09    -0.10  -0.06  -0.06
     4  45     0.00  -0.02  -0.00    -0.02   0.08   0.00     0.09   0.02  -0.00
     5   7    -0.01   0.01  -0.04     0.03  -0.03   0.10    -0.09   0.05  -0.00
     6   6    -0.02  -0.00  -0.01     0.06   0.03  -0.00    -0.11  -0.00   0.00
     7   6    -0.03   0.03  -0.01     0.03  -0.10   0.00    -0.01   0.06   0.00
     8   7    -0.03   0.03  -0.01     0.11  -0.04  -0.02    -0.03   0.02   0.09
     9   7     0.03   0.03   0.01    -0.08  -0.02  -0.02    -0.08  -0.03   0.10
    10   7     0.07  -0.04   0.05     0.06  -0.10  -0.01    -0.00   0.02  -0.06
    11   6    -0.04   0.06  -0.10    -0.03  -0.08  -0.06    -0.00  -0.01  -0.02
    12   1    -0.03   0.03  -0.01     0.00  -0.21   0.08     0.03   0.10  -0.11
    13   1    -0.03   0.04  -0.00    -0.09  -0.09  -0.08     0.08   0.04   0.06
    14   1    -0.03  -0.02   0.03     0.12   0.10  -0.13    -0.16  -0.05   0.05
    15   1     0.00  -0.03  -0.03    -0.02   0.14   0.07    -0.07  -0.07  -0.06
    16   1     0.03  -0.02  -0.03    -0.02   0.07   0.09    -0.20   0.11   0.11
    17   1    -0.01  -0.03   0.03     0.06   0.09  -0.04    -0.04   0.14  -0.09
    18   1     0.03   0.04   0.01    -0.02  -0.14  -0.02     0.02  -0.20  -0.14
    19   1     0.03   0.04  -0.00     0.04  -0.06   0.04     0.12  -0.08   0.10
    20   1     0.04   0.04   0.01    -0.14  -0.06  -0.05    -0.11  -0.09   0.30
    21   1     0.02   0.03   0.01    -0.06  -0.03  -0.02    -0.21   0.14   0.07
    22   1     0.02   0.00   0.10     0.01   0.01  -0.26    -0.17  -0.08  -0.18
    23   1    -0.01   0.06   0.03     0.09  -0.17  -0.07    -0.04  -0.20  -0.04
    24   1    -0.02   0.00  -0.10     0.07  -0.03   0.31    -0.15   0.08  -0.03
    25   1     0.01   0.06  -0.03    -0.07  -0.23   0.08    -0.08   0.09   0.00
    26   1    -0.04   0.04  -0.02     0.16  -0.10  -0.09    -0.02   0.05   0.28
    27   1    -0.02   0.03  -0.01     0.16   0.03  -0.02    -0.16  -0.13   0.07
    28   6     0.05   0.06   0.10     0.02  -0.08   0.06     0.01  -0.03   0.01
    29   7    -0.08  -0.04  -0.06    -0.06  -0.08   0.04    -0.04  -0.07  -0.05
    30   1     0.13  -0.04   0.24     0.10  -0.14   0.16    -0.02   0.07  -0.15
    31   1     0.23  -0.15  -0.05     0.20  -0.16  -0.09    -0.10   0.00  -0.01
    32   1     0.07   0.29  -0.23     0.03   0.02  -0.13     0.02  -0.02  -0.04
    33   1    -0.26  -0.02  -0.26    -0.15  -0.10  -0.11    -0.03   0.02   0.01
    34   1     0.26  -0.03   0.26     0.15  -0.09   0.09     0.04  -0.07   0.06
    35   1    -0.05   0.30   0.23    -0.04   0.01   0.14     0.00   0.03   0.02
    36   1    -0.13  -0.04  -0.25    -0.08  -0.08  -0.06    -0.08  -0.12  -0.21
    37   1    -0.25  -0.14   0.05    -0.13  -0.13   0.09    -0.19  -0.07   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    400.7955               402.0299               404.3493
 Red. masses --      4.4782                 3.7781                 4.5721
 Frc consts  --      0.4238                 0.3598                 0.4404
 IR Inten    --      1.4590                 0.4357                 1.8170
 RamAct Fr= 1--      0.7409                 3.5784                 3.0005
  Dep-P Fr= 1--      0.7494                 0.7462                 0.7497
  Dep-U Fr= 1--      0.8567                 0.8547                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.1058                 0.5097                 0.4286
 AlphaG Fr= 1--      0.0000                 0.0042                 0.0001
 Gamma2 Fr= 1--     -0.5765                 1.0717                -0.5186
 Delta2 Fr= 1--     -0.0667                 0.1147                 0.1705
 Raman1 Fr= 1--       2.964                 14.313                 12.002
 ROA1   Fr= 1--     -57.480                106.558                -44.330
 CID1   Fr= 1--     -19.394                  7.445                 -3.694
 Raman2 Fr= 1--       1.270                  6.117                  5.143
 ROA2   Fr= 1--     -13.302                 24.804                -13.810
 CID2   Fr= 1--     -10.477                  4.055                 -2.685
 Raman3 Fr= 1--       2.539                 12.233                 10.285
 ROA3   Fr= 1--     -57.480                106.558                -44.330
 CID3   Fr= 1--     -22.637                  8.710                 -4.310
 RC180  Fr= 1--       0.713                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.04     0.08   0.04   0.07    -0.09  -0.04  -0.05
     2   6     0.05   0.03  -0.04    -0.09  -0.06   0.06     0.05   0.03  -0.05
     3   7     0.05   0.09  -0.05    -0.10  -0.15   0.09     0.06   0.09  -0.04
     4  45    -0.02  -0.00   0.10    -0.00   0.07   0.00     0.08   0.00   0.04
     5   7     0.04  -0.07  -0.04     0.09  -0.15  -0.08     0.07  -0.12  -0.06
     6   6     0.04  -0.03  -0.03     0.08  -0.07  -0.06     0.06  -0.04  -0.06
     7   6    -0.03   0.01  -0.03    -0.07   0.04  -0.06    -0.10   0.05  -0.06
     8   7    -0.08  -0.01  -0.04    -0.14   0.01  -0.06    -0.18   0.01  -0.10
     9   7    -0.09   0.01  -0.05     0.15   0.00   0.07    -0.16  -0.01  -0.09
    10   7     0.06   0.18  -0.12    -0.02  -0.00   0.00    -0.06  -0.12   0.10
    11   6     0.08   0.12  -0.04     0.01  -0.01   0.00    -0.04  -0.07   0.02
    12   1    -0.05   0.06   0.02    -0.11   0.06   0.06    -0.15   0.10   0.08
    13   1    -0.02   0.00  -0.04    -0.10   0.02  -0.11    -0.13   0.04  -0.11
    14   1     0.08  -0.03   0.03     0.13  -0.09   0.08     0.11  -0.07   0.06
    15   1     0.03  -0.03  -0.04     0.09  -0.11  -0.11     0.07  -0.07  -0.10
    16   1     0.10   0.03   0.04    -0.14  -0.09  -0.09     0.09   0.05   0.05
    17   1     0.04   0.04  -0.05    -0.10  -0.11   0.12     0.06   0.05  -0.09
    18   1    -0.06  -0.07   0.03     0.13   0.07  -0.06    -0.14  -0.08   0.07
    19   1    -0.03  -0.00  -0.05     0.11   0.02   0.12    -0.12  -0.03  -0.10
    20   1    -0.15  -0.01  -0.12     0.13   0.03  -0.14    -0.19  -0.04  -0.02
    21   1    -0.01  -0.02  -0.03     0.27  -0.14   0.09    -0.23   0.04  -0.10
    22   1     0.11   0.12  -0.14    -0.11  -0.13  -0.10     0.06   0.08   0.05
    23   1     0.05  -0.00  -0.04    -0.07  -0.33   0.11    -0.01   0.15  -0.05
    24   1     0.09  -0.11  -0.15     0.11  -0.13   0.08     0.08  -0.10   0.06
    25   1     0.04   0.03  -0.02     0.06  -0.31  -0.11    -0.00  -0.20  -0.07
    26   1    -0.14   0.02  -0.14    -0.11   0.03   0.13    -0.20   0.05  -0.00
    27   1     0.02   0.03  -0.02    -0.24  -0.12  -0.08    -0.27  -0.05  -0.11
    28   6     0.07  -0.12  -0.04     0.00  -0.03  -0.01    -0.04   0.08   0.02
    29   7     0.05  -0.18  -0.12     0.03  -0.04  -0.02    -0.05   0.12   0.10
    30   1     0.01   0.22  -0.30    -0.02  -0.06   0.02    -0.08  -0.08   0.02
    31   1    -0.11   0.19  -0.02    -0.01  -0.00  -0.00    -0.14  -0.20   0.13
    32   1     0.13   0.15  -0.10     0.01  -0.02   0.01    -0.06  -0.07   0.04
    33   1    -0.08   0.20   0.03     0.02  -0.01   0.01     0.04  -0.14  -0.05
    34   1    -0.09  -0.19   0.03    -0.03  -0.04  -0.00     0.04   0.13  -0.05
    35   1     0.12  -0.15  -0.10     0.01  -0.04  -0.02    -0.06   0.07   0.04
    36   1    -0.00  -0.21  -0.30     0.03  -0.09  -0.05    -0.07   0.08   0.02
    37   1    -0.13  -0.18  -0.02     0.01  -0.04  -0.01    -0.13   0.20   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.5852               464.1120               503.6166
 Red. masses --      3.8719                 4.1367                 4.3001
 Frc consts  --      0.4839                 0.5250                 0.6426
 IR Inten    --      6.8792                 7.8452                 0.0002
 RamAct Fr= 1--      3.8991                 4.3015                40.2102
  Dep-P Fr= 1--      0.7500                 0.7347                 0.0012
  Dep-U Fr= 1--      0.8571                 0.8470                 0.0024
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.8910
 Beta2  Fr= 1--      0.5570                 0.6073                 0.0163
 AlphaG Fr= 1--     -0.0001                 0.0191                -0.2792
 Gamma2 Fr= 1--      0.7974                 1.3062                -0.4855
 Delta2 Fr= 1--      0.1335                 0.1006                 0.0835
 Raman1 Fr= 1--      15.596                 17.206                160.841
 ROA1   Fr= 1--      80.820                128.616                -43.936
 CID1   Fr= 1--       5.182                  7.475                 -0.273
 Raman2 Fr= 1--       6.684                  7.287                  0.195
 ROA2   Fr= 1--      18.068                 30.544                -12.321
 CID2   Fr= 1--       2.703                  4.192                -63.179
 Raman3 Fr= 1--      13.368                 14.574                  0.390
 ROA3   Fr= 1--      80.820                128.616                -43.936
 CID3   Fr= 1--       6.046                  8.825               -112.651
 RC180  Fr= 1--       0.714                  0.694                 -0.995
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.01   0.01  -0.01     0.00  -0.02   0.01
     2   6     0.02  -0.02   0.02     0.04   0.00  -0.01    -0.02   0.01  -0.00
     3   7    -0.03  -0.18   0.18     0.01  -0.03   0.07     0.02   0.14  -0.15
     4  45     0.03   0.00  -0.01    -0.00   0.03   0.00     0.00   0.00  -0.00
     5   7    -0.02   0.17   0.17    -0.01  -0.05  -0.09    -0.02   0.14   0.15
     6   6     0.01   0.02   0.02    -0.04   0.00   0.00     0.02   0.01   0.00
     7   6     0.02  -0.04   0.01     0.01   0.01   0.01    -0.00  -0.02  -0.01
     8   7    -0.10  -0.06  -0.15     0.12   0.04   0.13    -0.14  -0.05  -0.15
     9   7    -0.11   0.07  -0.16    -0.11   0.04  -0.11     0.14  -0.06   0.15
    10   7     0.01   0.02   0.01    -0.15  -0.10   0.21    -0.09  -0.08   0.15
    11   6     0.02   0.04  -0.01     0.00   0.02   0.04     0.00   0.01   0.02
    12   1    -0.01   0.08   0.07     0.04  -0.08  -0.07    -0.04   0.11   0.06
    13   1     0.05  -0.06   0.01    -0.00   0.04   0.03     0.03  -0.05  -0.02
    14   1    -0.11   0.01  -0.10     0.03   0.02   0.04    -0.11  -0.03  -0.07
    15   1     0.04   0.02   0.05    -0.04   0.01   0.00     0.06  -0.02   0.00
    16   1    -0.12   0.00  -0.10    -0.01   0.02  -0.03     0.10  -0.03   0.07
    17   1     0.05  -0.02   0.05     0.04   0.01  -0.01    -0.06  -0.02  -0.00
    18   1    -0.02  -0.09   0.07    -0.05  -0.07   0.06     0.04   0.10  -0.06
    19   1     0.05   0.06   0.00     0.00   0.03  -0.03    -0.04  -0.05   0.02
    20   1    -0.14   0.06  -0.26    -0.15   0.03  -0.16     0.15  -0.06   0.20
    21   1    -0.13  -0.06  -0.17    -0.10  -0.02  -0.11     0.12   0.02   0.14
    22   1    -0.08  -0.21   0.30     0.01  -0.04   0.11     0.03   0.15  -0.19
    23   1    -0.12  -0.09   0.17    -0.05  -0.02   0.07     0.10   0.09  -0.15
    24   1    -0.07   0.21   0.28    -0.00  -0.06  -0.15    -0.02   0.15   0.20
    25   1    -0.11   0.09   0.16     0.07  -0.03  -0.09    -0.09   0.10   0.15
    26   1    -0.13  -0.05  -0.25     0.16   0.03   0.19    -0.15  -0.05  -0.20
    27   1    -0.11   0.07  -0.15     0.12  -0.04   0.13    -0.12   0.03  -0.15
    28   6     0.02  -0.03  -0.01    -0.01   0.03  -0.04    -0.00   0.01  -0.02
    29   7     0.02  -0.03  -0.01     0.14  -0.11  -0.21     0.09  -0.09  -0.15
    30   1    -0.01   0.03  -0.08    -0.19  -0.20   0.12    -0.13  -0.10   0.03
    31   1    -0.07  -0.00   0.05    -0.22  -0.14   0.25    -0.18  -0.10   0.20
    32   1     0.05   0.09  -0.04    -0.01   0.06   0.05    -0.00   0.06   0.02
    33   1    -0.04   0.02  -0.04     0.07  -0.10  -0.11     0.03  -0.08  -0.09
    34   1    -0.05  -0.03  -0.03    -0.07  -0.09   0.11    -0.03  -0.08   0.09
    35   1     0.05  -0.08  -0.04     0.01   0.07  -0.05     0.00   0.06  -0.02
    36   1     0.00  -0.05  -0.09     0.18  -0.20  -0.11     0.13  -0.10  -0.03
    37   1    -0.05  -0.01   0.03     0.23  -0.15  -0.26     0.17  -0.11  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    534.0340               543.7142               558.9321
 Red. masses --      1.6472                 1.7309                 1.8293
 Frc consts  --      0.2768                 0.3015                 0.3367
 IR Inten    --      2.3516                 2.1009                 3.5653
 RamAct Fr= 1--      0.0837                 0.2323                 0.2116
  Dep-P Fr= 1--      0.7473                 0.7499                 0.6634
  Dep-U Fr= 1--      0.8554                 0.8571                 0.7976
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0003
 Beta2  Fr= 1--      0.0119                 0.0332                 0.0281
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0039
 Gamma2 Fr= 1--     -0.2116                 0.5508                -0.8243
 Delta2 Fr= 1--     -0.0449                 0.3012                -0.1755
 Raman1 Fr= 1--       0.335                  0.929                  0.846
 ROA1   Fr= 1--     -21.746                 62.514                -84.750
 CID1   Fr= 1--     -64.928                 67.291               -100.136
 Raman2 Fr= 1--       0.143                  0.398                  0.338
 ROA2   Fr= 1--      -4.718                 10.809                -18.380
 CID2   Fr= 1--     -32.937                 27.149                -54.454
 Raman3 Fr= 1--       0.286                  0.796                  0.675
 ROA3   Fr= 1--     -21.746                 62.514                -84.750
 CID3   Fr= 1--     -75.907                 78.510               -125.545
 RC180  Fr= 1--       0.711                  0.714                  0.595
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.06    -0.00  -0.00   0.00     0.05   0.04   0.06
     2   6     0.06   0.03  -0.06     0.00   0.00  -0.00    -0.05  -0.02   0.06
     3   7     0.03  -0.05   0.05     0.00   0.00  -0.01    -0.02   0.06  -0.07
     4  45    -0.01  -0.00  -0.00    -0.01  -0.00  -0.02    -0.00  -0.03   0.00
     5   7     0.03   0.05   0.06     0.00  -0.00  -0.01     0.02   0.05   0.07
     6   6     0.06  -0.03  -0.06     0.00  -0.00  -0.00     0.05  -0.02  -0.06
     7   6    -0.05   0.03  -0.06    -0.00   0.00  -0.00    -0.05   0.04  -0.06
     8   7     0.02   0.04   0.05     0.02   0.01   0.02     0.04   0.05   0.07
     9   7     0.02  -0.04   0.04     0.02  -0.01   0.02    -0.04   0.05  -0.07
    10   7     0.00   0.02  -0.02    -0.05  -0.00   0.10     0.00   0.01  -0.00
    11   6     0.00   0.00   0.00     0.08   0.08  -0.02    -0.00   0.00   0.00
    12   1    -0.10  -0.15   0.09     0.00  -0.04   0.00    -0.09  -0.18   0.09
    13   1    -0.23   0.05  -0.19    -0.02   0.01  -0.01    -0.25   0.07  -0.20
    14   1    -0.10  -0.16   0.09    -0.01  -0.02   0.02    -0.13  -0.16   0.10
    15   1     0.17  -0.19  -0.18     0.02  -0.02  -0.02     0.16  -0.20  -0.20
    16   1    -0.09   0.15   0.08    -0.01   0.02   0.02     0.12  -0.17  -0.10
    17   1     0.17   0.17  -0.17     0.02   0.02  -0.01    -0.18  -0.20   0.21
    18   1    -0.09   0.15   0.09     0.00   0.03  -0.00     0.09  -0.19  -0.10
    19   1    -0.22  -0.04  -0.19    -0.02  -0.01  -0.01     0.26   0.06   0.21
    20   1     0.06  -0.05   0.25     0.02  -0.01   0.05    -0.04   0.08  -0.21
    21   1    -0.06   0.15   0.03    -0.00   0.02   0.02    -0.01  -0.11  -0.06
    22   1     0.01  -0.08   0.24    -0.02  -0.02   0.09    -0.03   0.07  -0.22
    23   1    -0.09   0.11   0.03     0.01   0.11  -0.03     0.11  -0.07  -0.05
    24   1     0.02   0.09   0.25    -0.01   0.02   0.10     0.03   0.07   0.21
    25   1    -0.10  -0.11   0.04    -0.00  -0.11  -0.03    -0.11  -0.06   0.05
    26   1     0.06   0.05   0.25     0.03   0.01   0.06     0.04   0.07   0.20
    27   1    -0.07  -0.15   0.03    -0.00  -0.02   0.02     0.01  -0.11   0.06
    28   6     0.00  -0.00   0.00     0.08  -0.08  -0.02    -0.00   0.00   0.00
    29   7     0.00  -0.02  -0.02    -0.05   0.00   0.10    -0.00   0.01   0.00
    30   1     0.02  -0.03   0.07    -0.13  -0.06  -0.15    -0.01   0.03  -0.05
    31   1     0.09   0.04  -0.07    -0.26  -0.01   0.22    -0.04  -0.00   0.02
    32   1    -0.01  -0.03   0.01     0.22   0.33  -0.19    -0.00   0.00   0.00
    33   1     0.02   0.02   0.03    -0.21  -0.01  -0.21    -0.00   0.00   0.00
    34   1     0.02  -0.02   0.03    -0.21   0.02  -0.21     0.01   0.00  -0.00
    35   1    -0.00   0.03   0.01     0.21  -0.34  -0.19    -0.00   0.01   0.00
    36   1     0.03   0.03   0.07    -0.13   0.07  -0.14     0.01   0.03   0.05
    37   1     0.09  -0.05  -0.07    -0.26   0.03   0.22     0.04  -0.00  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    680.5897               686.1545               714.9917
 Red. masses --      1.3007                 1.3081                 1.2854
 Frc consts  --      0.3550                 0.3629                 0.3871
 IR Inten    --      1.8806                 0.8007                 1.2751
 RamAct Fr= 1--      1.4296                 0.0299                 0.9431
  Dep-P Fr= 1--      0.0316                 0.7324                 0.5958
  Dep-U Fr= 1--      0.0613                 0.8455                 0.7467
 Alpha2 Fr= 1--      0.0295                 0.0000                 0.0027
 Beta2  Fr= 1--      0.0146                 0.0042                 0.1174
 AlphaG Fr= 1--      0.0144                -0.0000                 0.0942
 Gamma2 Fr= 1--      0.8917                 0.5483                -3.3530
 Delta2 Fr= 1--     -0.1193                -0.0218                 0.0856
 Raman1 Fr= 1--       5.718                  0.120                  3.772
 ROA1   Fr= 1--      81.787                 51.936               -319.145
 CID1   Fr= 1--      14.303                434.113                -84.599
 Raman2 Fr= 1--       0.175                  0.051                  1.408
 ROA2   Fr= 1--      22.355                 13.332                -81.156
 CID2   Fr= 1--     127.590                263.597                -57.621
 Raman3 Fr= 1--       0.350                  0.101                  2.817
 ROA3   Fr= 1--      81.787                 51.936               -319.145
 CID3   Fr= 1--     233.394                513.425               -113.296
 RC180  Fr= 1--      -0.877                  0.691                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.01   0.00  -0.02    -0.01  -0.00   0.01
     2   6    -0.00   0.00  -0.02     0.02   0.01   0.00     0.00  -0.01  -0.01
     3   7     0.02   0.00  -0.02    -0.02   0.04   0.07     0.01  -0.03  -0.04
     4  45    -0.00  -0.01  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
     5   7    -0.02   0.00   0.02    -0.02  -0.04   0.07    -0.01  -0.03   0.03
     6   6     0.00   0.00   0.02     0.01  -0.01   0.00    -0.00  -0.01   0.01
     7   6     0.01  -0.00   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   7     0.03   0.02  -0.06     0.02   0.03  -0.04     0.02   0.03  -0.04
     9   7    -0.03   0.02   0.05     0.02  -0.03  -0.04    -0.02   0.03   0.04
    10   7    -0.07   0.01  -0.02    -0.01  -0.01   0.01     0.06  -0.01   0.02
    11   6    -0.01   0.01   0.00     0.01   0.01   0.01     0.01  -0.02  -0.00
    12   1     0.00  -0.06   0.05    -0.02  -0.07   0.06    -0.01  -0.05   0.03
    13   1    -0.06   0.04   0.00    -0.09   0.03  -0.06    -0.06   0.04  -0.01
    14   1     0.01   0.02  -0.03     0.06   0.03  -0.05     0.06   0.04  -0.04
    15   1    -0.03   0.03   0.04    -0.07   0.05   0.00    -0.08   0.06   0.04
    16   1    -0.01   0.02   0.03     0.06  -0.04  -0.05    -0.05   0.04   0.04
    17   1     0.02   0.03  -0.04    -0.07  -0.05   0.00     0.08   0.06  -0.04
    18   1    -0.00  -0.06  -0.04    -0.01   0.08   0.06     0.01  -0.05  -0.03
    19   1     0.06   0.03  -0.00    -0.09  -0.03  -0.06     0.07   0.04   0.01
    20   1    -0.11   0.03  -0.28     0.08  -0.04   0.24    -0.08   0.04  -0.24
    21   1     0.28  -0.16   0.11    -0.21   0.15  -0.09     0.21  -0.16   0.09
    22   1     0.00  -0.01   0.06     0.05   0.13  -0.35    -0.00  -0.07   0.22
    23   1    -0.03   0.07  -0.03    -0.01  -0.38   0.14    -0.03   0.23  -0.08
    24   1     0.00  -0.02  -0.09     0.04  -0.13  -0.35    -0.00  -0.07  -0.21
    25   1     0.03   0.09   0.03     0.01   0.39   0.14     0.04   0.22   0.08
    26   1     0.12   0.03   0.30     0.08   0.03   0.22     0.08   0.03   0.24
    27   1    -0.30  -0.15  -0.11    -0.20  -0.14  -0.08    -0.21  -0.15  -0.09
    28   6     0.01   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.00
    29   7     0.07   0.01   0.02    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    30   1     0.00  -0.14   0.32    -0.01   0.00  -0.01    -0.00   0.13  -0.29
    31   1     0.25   0.09  -0.19    -0.02   0.02   0.02    -0.23  -0.05   0.18
    32   1    -0.02  -0.09   0.02     0.04   0.05  -0.03     0.03   0.09  -0.02
    33   1     0.07   0.03   0.04    -0.05  -0.01  -0.03    -0.08  -0.03  -0.04
    34   1    -0.07   0.03  -0.04    -0.05   0.01  -0.02     0.08  -0.03   0.04
    35   1     0.02  -0.10  -0.02     0.04  -0.05  -0.03    -0.02   0.09   0.02
    36   1    -0.01  -0.14  -0.32    -0.01   0.01   0.01     0.01   0.13   0.29
    37   1    -0.24   0.09   0.19    -0.00  -0.02   0.00     0.23  -0.06  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    742.5321               745.3809               767.8988
 Red. masses --      1.4607                 1.3937                 1.4360
 Frc consts  --      0.4745                 0.4562                 0.4989
 IR Inten    --      9.6791                 2.4171                16.6214
 RamAct Fr= 1--      0.0929                 1.0190                 0.5838
  Dep-P Fr= 1--      0.7498                 0.5312                 0.7498
  Dep-U Fr= 1--      0.8570                 0.6938                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0043                 0.0000
 Beta2  Fr= 1--      0.0133                 0.1178                 0.0834
 AlphaG Fr= 1--     -0.0000                 0.0084                -0.0000
 Gamma2 Fr= 1--     -0.8264                 3.1549                 1.0137
 Delta2 Fr= 1--      0.0043                 0.0823                 0.0139
 Raman1 Fr= 1--       0.371                  4.076                  2.335
 ROA1   Fr= 1--     -79.199                305.502                 97.758
 CID1   Fr= 1--    -213.207                 74.950                 41.862
 Raman2 Fr= 1--       0.159                  1.414                  1.001
 ROA2   Fr= 1--     -19.869                 75.059                 24.217
 CID2   Fr= 1--    -124.830                 53.080                 24.200
 Raman3 Fr= 1--       0.318                  2.828                  2.001
 ROA3   Fr= 1--     -79.199                305.502                 97.758
 CID3   Fr= 1--    -248.787                108.021                 48.846
 RC180  Fr= 1--       0.714                  0.388                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.01   0.01   0.03    -0.02  -0.02  -0.02
     2   6    -0.03   0.01   0.02    -0.03  -0.01   0.02     0.01  -0.01  -0.02
     3   7     0.01  -0.01  -0.03     0.00  -0.06  -0.07    -0.00   0.02   0.04
     4  45     0.01  -0.00   0.02     0.00   0.01   0.00     0.02  -0.00  -0.01
     5   7     0.01   0.01  -0.04    -0.00  -0.06   0.07    -0.00  -0.02   0.04
     6   6    -0.03  -0.01   0.02     0.02  -0.01  -0.02     0.01   0.01  -0.02
     7   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.02   0.02  -0.02
     8   7     0.01   0.02  -0.05    -0.03  -0.01   0.04    -0.04  -0.03   0.06
     9   7     0.00  -0.02  -0.05     0.03  -0.01  -0.04    -0.04   0.03   0.06
    10   7    -0.08   0.03  -0.01    -0.03   0.00  -0.01    -0.06  -0.00  -0.01
    11   6     0.04   0.02  -0.01    -0.01  -0.00  -0.00     0.03   0.02   0.02
    12   1     0.02   0.04  -0.06    -0.03  -0.01   0.05    -0.03   0.03   0.01
    13   1     0.06   0.01   0.12    -0.05  -0.01  -0.12    -0.00  -0.03  -0.09
    14   1     0.04   0.05  -0.07     0.05  -0.01   0.01    -0.01  -0.03   0.06
    15   1    -0.05   0.07   0.12    -0.04  -0.01  -0.10     0.02  -0.05  -0.12
    16   1     0.04  -0.05  -0.07    -0.05  -0.00  -0.01    -0.01   0.03   0.06
    17   1    -0.05  -0.07   0.11     0.03  -0.01   0.10     0.02   0.05  -0.12
    18   1     0.02  -0.04  -0.06     0.03  -0.02  -0.05    -0.03  -0.03   0.01
    19   1     0.05  -0.01   0.11     0.05  -0.01   0.12     0.00   0.03  -0.10
    20   1     0.09  -0.00   0.17     0.09  -0.00   0.17    -0.12   0.04  -0.28
    21   1    -0.17   0.09  -0.08    -0.21   0.08  -0.08     0.29  -0.16   0.12
    22   1    -0.05  -0.05   0.10    -0.04  -0.13   0.34     0.04   0.07  -0.15
    23   1     0.03   0.12  -0.05     0.03   0.41  -0.15    -0.03  -0.18   0.08
    24   1    -0.05   0.06   0.11     0.04  -0.13  -0.34     0.04  -0.07  -0.14
    25   1     0.02  -0.14  -0.06    -0.01   0.40   0.15    -0.02   0.18   0.07
    26   1     0.09  -0.00   0.17    -0.09  -0.00  -0.17    -0.12  -0.04  -0.28
    27   1    -0.18  -0.08  -0.09     0.21   0.08   0.08     0.29   0.15   0.12
    28   6     0.04  -0.02  -0.01     0.01  -0.01   0.00     0.02  -0.02   0.02
    29   7    -0.08  -0.03  -0.01     0.03  -0.00   0.00    -0.06   0.01  -0.01
    30   1    -0.02  -0.22   0.35     0.00  -0.05   0.13    -0.02  -0.15   0.23
    31   1     0.26   0.11  -0.20     0.09   0.02  -0.08     0.18   0.10  -0.14
    32   1     0.11   0.00  -0.09    -0.01  -0.05   0.00     0.12   0.05  -0.09
    33   1    -0.03   0.04   0.00     0.02   0.01   0.02    -0.08   0.00  -0.02
    34   1    -0.03  -0.04   0.00    -0.03   0.01  -0.02    -0.08  -0.00  -0.02
    35   1     0.11  -0.01  -0.09     0.01  -0.05  -0.01     0.12  -0.06  -0.09
    36   1    -0.01   0.22   0.35    -0.00  -0.04  -0.12    -0.01   0.15   0.23
    37   1     0.25  -0.12  -0.20    -0.08   0.01   0.07     0.18  -0.11  -0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2363               866.3049               867.6155
 Red. masses --      3.2179                 3.1894                 3.1366
 Frc consts  --      1.4226                 1.4103                 1.3911
 IR Inten    --     10.3393                10.1638                 0.0085
 RamAct Fr= 1--      1.2360                 0.8872                10.7007
  Dep-P Fr= 1--      0.7414                 0.7382                 0.0359
  Dep-U Fr= 1--      0.8515                 0.8494                 0.0693
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.2186
 Beta2  Fr= 1--      0.1754                 0.1256                 0.1235
 AlphaG Fr= 1--     -0.0006                 0.0014                -0.0986
 Gamma2 Fr= 1--      0.3081                 0.7654                -1.5693
 Delta2 Fr= 1--      0.5108                 0.6366                -2.0009
 Raman1 Fr= 1--       4.944                  3.549                 42.803
 ROA1   Fr= 1--      45.921                 93.849               -214.684
 CID1   Fr= 1--       9.288                 26.444                 -5.016
 Raman2 Fr= 1--       2.105                  1.507                  1.482
 ROA2   Fr= 1--       3.307                 13.277                -21.657
 CID2   Fr= 1--       1.571                  8.809                -14.611
 Raman3 Fr= 1--       4.210                  3.014                  2.964
 ROA3   Fr= 1--      45.921                 93.849               -214.684
 CID3   Fr= 1--      10.908                 31.134                -72.419
 RC180  Fr= 1--       0.703                  0.699                 -0.861
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.08     0.08   0.07   0.09     0.10   0.05   0.10
     2   6     0.09   0.05  -0.09     0.10   0.05  -0.09     0.12   0.03  -0.08
     3   7    -0.08  -0.01  -0.03    -0.08  -0.01  -0.04    -0.12   0.00  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.12   0.01  -0.05     0.03  -0.00   0.02     0.13  -0.00   0.05
     6   6     0.14  -0.07  -0.13    -0.03   0.02   0.03    -0.12   0.02   0.06
     7   6     0.11  -0.11   0.12    -0.03   0.02  -0.03    -0.10   0.04  -0.10
     8   7    -0.07   0.13   0.06     0.01  -0.03  -0.01     0.04  -0.04  -0.02
     9   7    -0.06  -0.09   0.05    -0.05  -0.09   0.04    -0.05  -0.06   0.03
    10   7    -0.00   0.01   0.00     0.03  -0.12  -0.08    -0.02   0.08   0.04
    11   6    -0.04  -0.04   0.03     0.13   0.15  -0.01    -0.09  -0.10   0.02
    12   1     0.03  -0.06   0.34    -0.01   0.02  -0.09    -0.01   0.10  -0.38
    13   1    -0.03  -0.05   0.08     0.01   0.01  -0.02     0.10   0.01   0.04
    14   1     0.10   0.01  -0.42    -0.02   0.00   0.09    -0.04   0.02   0.17
    15   1     0.01   0.08  -0.03    -0.00  -0.02   0.01    -0.04  -0.01   0.10
    16   1     0.07  -0.01  -0.30     0.07  -0.01  -0.30     0.06   0.01  -0.23
    17   1    -0.00  -0.06  -0.02     0.00  -0.06  -0.02     0.03  -0.03  -0.08
    18   1     0.03   0.04   0.22     0.03   0.04   0.24     0.02   0.09   0.36
    19   1    -0.01   0.04   0.06    -0.02   0.03   0.06    -0.08   0.02  -0.01
    20   1    -0.05  -0.07  -0.02    -0.04  -0.07   0.00    -0.07  -0.06  -0.01
    21   1    -0.08  -0.18   0.05    -0.10  -0.17   0.03    -0.11  -0.15   0.02
    22   1    -0.08  -0.01   0.01    -0.09  -0.02   0.03    -0.10   0.01  -0.03
    23   1    -0.18  -0.01  -0.03    -0.19   0.02  -0.04    -0.20  -0.01  -0.04
    24   1    -0.12   0.02   0.02     0.03  -0.01  -0.02     0.09   0.01   0.03
    25   1    -0.26   0.01  -0.05     0.06   0.02   0.02     0.19  -0.01   0.05
    26   1    -0.06   0.10  -0.02     0.01  -0.02  -0.01     0.06  -0.06   0.01
    27   1    -0.12   0.26   0.06     0.04  -0.05  -0.00     0.11  -0.13  -0.01
    28   6     0.03  -0.04   0.02    -0.12   0.16   0.03     0.08  -0.10  -0.01
    29   7     0.01   0.05  -0.04    -0.03  -0.11   0.07     0.03   0.08  -0.05
    30   1     0.01   0.06   0.02    -0.00  -0.25  -0.14     0.01   0.17   0.11
    31   1     0.01   0.03  -0.00    -0.02  -0.11  -0.06     0.03   0.05   0.01
    32   1     0.02   0.04  -0.03     0.08  -0.02   0.04    -0.05  -0.00  -0.03
    33   1    -0.17  -0.02   0.02     0.37   0.07  -0.08    -0.25  -0.04   0.06
    34   1     0.04  -0.02  -0.02    -0.41   0.09   0.08     0.22  -0.04  -0.06
    35   1     0.05  -0.03  -0.01    -0.06  -0.04  -0.05     0.06  -0.02   0.02
    36   1     0.01   0.07  -0.05    -0.00  -0.25   0.13     0.00   0.16  -0.13
    37   1     0.01   0.03  -0.03     0.02  -0.11   0.04    -0.03   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9118               872.6305               874.0421
 Red. masses --      2.5441                 2.4747                 2.5530
 Frc consts  --      1.1317                 1.1103                 1.1491
 IR Inten    --      2.0569                 0.0609                 3.0438
 RamAct Fr= 1--      1.9648                 3.2037                 0.4155
  Dep-P Fr= 1--      0.7216                 0.5748                 0.7452
  Dep-U Fr= 1--      0.8383                 0.7300                 0.8540
 Alpha2 Fr= 1--      0.0010                 0.0106                 0.0000
 Beta2  Fr= 1--      0.2745                 0.3898                 0.0591
 AlphaG Fr= 1--     -0.0004                 0.0002                 0.0000
 Gamma2 Fr= 1--      0.3330                -1.1866                 0.6613
 Delta2 Fr= 1--     -0.2824                -0.5560                 0.0797
 Raman1 Fr= 1--       7.859                 12.815                  1.662
 ROA1   Fr= 1--      22.928               -131.707                 66.035
 CID1   Fr= 1--       2.917                -10.278                 39.732
 Raman2 Fr= 1--       3.294                  4.677                  0.710
 ROA2   Fr= 1--      10.250                -24.030                 15.233
 CID2   Fr= 1--       3.112                 -5.138                 21.464
 Raman3 Fr= 1--       6.588                  9.355                  1.419
 ROA3   Fr= 1--      22.928               -131.707                 66.035
 CID3   Fr= 1--       3.480                -14.079                 46.523
 RC180  Fr= 1--       0.677                  0.460                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06  -0.07     0.03  -0.10   0.04     0.02  -0.06   0.03
     2   6    -0.07   0.06  -0.03     0.04  -0.09   0.07     0.02  -0.05   0.04
     3   7     0.12  -0.02   0.05    -0.10   0.02  -0.04    -0.06   0.00  -0.05
     4  45    -0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     5   7     0.12   0.01   0.05     0.09   0.02   0.05    -0.04   0.00  -0.04
     6   6    -0.06  -0.07  -0.04    -0.04  -0.09  -0.07     0.02   0.04   0.03
     7   6    -0.05  -0.07  -0.06    -0.03  -0.10  -0.04     0.01   0.04   0.03
     8   7    -0.03   0.09   0.05    -0.04   0.13   0.05     0.03  -0.04  -0.04
     9   7    -0.03  -0.07   0.04     0.05   0.12  -0.05     0.04   0.07  -0.05
    10   7     0.03  -0.08  -0.06    -0.01  -0.00  -0.00     0.02  -0.11  -0.11
    11   6    -0.01   0.01   0.08     0.02   0.03  -0.02    -0.02   0.01   0.14
    12   1     0.03   0.12  -0.33     0.03   0.09  -0.25    -0.01  -0.04   0.11
    13   1     0.17  -0.05   0.19     0.14  -0.03   0.22    -0.06   0.03  -0.05
    14   1     0.07   0.06  -0.25     0.12   0.08  -0.38    -0.05  -0.03   0.14
    15   1    -0.09   0.11   0.19    -0.12   0.15   0.21     0.07  -0.05  -0.05
    16   1     0.05  -0.05  -0.18    -0.11   0.08   0.37    -0.07   0.04   0.21
    17   1    -0.09  -0.09   0.18     0.13   0.14  -0.22     0.09   0.08  -0.09
    18   1     0.02  -0.12  -0.34    -0.03   0.09   0.26    -0.01   0.06   0.16
    19   1     0.16   0.04   0.17    -0.14  -0.02  -0.23    -0.09  -0.03  -0.09
    20   1     0.04  -0.01   0.02    -0.03   0.08  -0.09    -0.00   0.03   0.02
    21   1     0.07  -0.03   0.06     0.01   0.07  -0.05    -0.06   0.09  -0.07
    22   1     0.04  -0.05   0.06     0.01   0.07  -0.07    -0.00   0.01   0.03
    23   1     0.08  -0.04   0.06    -0.01   0.04  -0.05    -0.03   0.11  -0.07
    24   1     0.04   0.06   0.06    -0.01   0.07   0.06    -0.00  -0.00   0.04
    25   1     0.06   0.05   0.06     0.01   0.06   0.06    -0.03  -0.09  -0.06
    26   1     0.04   0.03   0.03     0.03   0.08   0.08     0.00  -0.01   0.03
    27   1     0.06   0.06   0.07     0.00   0.08   0.06    -0.07  -0.07  -0.06
    28   6    -0.02   0.01   0.08    -0.01   0.03  -0.01    -0.02  -0.01   0.14
    29   7     0.04   0.07  -0.05    -0.00  -0.03   0.03     0.03   0.11  -0.11
    30   1     0.03   0.03  -0.14    -0.00  -0.04   0.02     0.04  -0.02  -0.10
    31   1    -0.02   0.00  -0.02     0.01  -0.03  -0.02     0.04   0.00  -0.11
    32   1     0.11   0.13  -0.06    -0.02  -0.06   0.03     0.24   0.19  -0.15
    33   1    -0.22  -0.04  -0.01     0.13   0.03  -0.00    -0.41  -0.03   0.01
    34   1    -0.24   0.05  -0.01    -0.03   0.02   0.00    -0.42   0.05   0.01
    35   1     0.10  -0.13  -0.07    -0.03  -0.01   0.01     0.23  -0.21  -0.16
    36   1     0.03  -0.05  -0.13    -0.01  -0.04   0.01     0.04   0.01  -0.10
    37   1    -0.02  -0.01  -0.01    -0.02  -0.03   0.04     0.04  -0.01  -0.11
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.7040               983.0581               983.4969
 Red. masses --      2.1966                 2.2119                 2.2060
 Frc consts  --      1.2473                 1.2594                 1.2572
 IR Inten    --      6.4901                 1.4707                 1.9450
 RamAct Fr= 1--      1.1981                 2.2616                 4.2284
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7496
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1712                 0.3231                 0.6039
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0005
 Gamma2 Fr= 1--     -0.0784                 0.1032                 1.6223
 Delta2 Fr= 1--     -0.5685                 0.0390                 1.0692
 Raman1 Fr= 1--       4.792                  9.046                 16.914
 ROA1   Fr= 1--     -25.712                 11.151                189.961
 CID1   Fr= 1--      -5.365                  1.233                 11.231
 Raman2 Fr= 1--       2.054                  3.877                  7.247
 ROA2   Fr= 1--       2.667                  2.164                 30.382
 CID2   Fr= 1--       1.299                  0.558                  4.193
 Raman3 Fr= 1--       4.108                  7.754                 14.493
 ROA3   Fr= 1--     -25.712                 11.151                189.961
 CID3   Fr= 1--      -6.259                  1.438                 13.107
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.11  -0.07  -0.00     0.12   0.08   0.01
     2   6     0.06   0.03   0.00     0.12   0.06  -0.00    -0.13  -0.07  -0.01
     3   7    -0.03  -0.01  -0.00    -0.06  -0.02  -0.00     0.07   0.02   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.01  -0.00    -0.06   0.02  -0.00    -0.07   0.02  -0.01
     6   6     0.06  -0.03   0.00     0.11  -0.06  -0.00     0.13  -0.08   0.01
     7   6    -0.06   0.04  -0.00    -0.11   0.07   0.00    -0.12   0.08  -0.01
     8   7     0.02  -0.02   0.00     0.04  -0.04  -0.00     0.05  -0.05  -0.00
     9   7     0.02   0.02   0.00     0.04   0.04  -0.00    -0.05  -0.05   0.00
    10   7    -0.00  -0.08  -0.02     0.00   0.04   0.01    -0.00  -0.00   0.00
    11   6     0.01   0.18   0.00    -0.00  -0.10  -0.00    -0.01   0.01  -0.01
    12   1    -0.04   0.14  -0.05    -0.09   0.27  -0.09    -0.10   0.28  -0.09
    13   1     0.06   0.02   0.08     0.12   0.04   0.17     0.10   0.07   0.18
    14   1     0.14   0.02  -0.04     0.26   0.03  -0.08     0.33   0.05  -0.10
    15   1    -0.00   0.06   0.08     0.00   0.12   0.16    -0.02   0.15   0.19
    16   1     0.15  -0.03  -0.04     0.27  -0.05  -0.09    -0.32   0.06   0.10
    17   1    -0.01  -0.06   0.08    -0.01  -0.12   0.16     0.03   0.14  -0.19
    18   1    -0.05  -0.14  -0.05    -0.10  -0.27  -0.09     0.11   0.27   0.08
    19   1     0.06  -0.02   0.08     0.11  -0.05   0.17    -0.09   0.07  -0.17
    20   1     0.06   0.05   0.01     0.11   0.08   0.03    -0.09  -0.07  -0.04
    21   1     0.07   0.06   0.01     0.14   0.11   0.01    -0.16  -0.15  -0.01
    22   1    -0.07  -0.02   0.00    -0.11  -0.04   0.03     0.16   0.06  -0.04
    23   1    -0.09  -0.04   0.01    -0.17  -0.05   0.01     0.16   0.04  -0.00
    24   1    -0.06   0.02   0.00    -0.10   0.04   0.02    -0.16   0.07   0.04
    25   1    -0.08   0.04   0.01    -0.17   0.06   0.01    -0.17   0.05   0.00
    26   1     0.05  -0.05   0.01     0.10  -0.09   0.02     0.09  -0.08   0.04
    27   1     0.06  -0.06   0.01     0.13  -0.11   0.01     0.15  -0.16   0.01
    28   6    -0.00  -0.18   0.00    -0.00   0.09  -0.00     0.01   0.00   0.01
    29   7    -0.00   0.08  -0.02     0.00  -0.04   0.01     0.00  -0.00  -0.00
    30   1    -0.04  -0.26  -0.05     0.02   0.13   0.01     0.01   0.04   0.01
    31   1    -0.05  -0.15  -0.01     0.02   0.10   0.01    -0.00  -0.06  -0.00
    32   1    -0.18  -0.09   0.22     0.09   0.05  -0.11    -0.02  -0.06   0.00
    33   1     0.21   0.29   0.19    -0.10  -0.16  -0.11     0.04   0.02   0.02
    34   1     0.19  -0.30   0.19    -0.09   0.16  -0.11    -0.04   0.02  -0.02
    35   1    -0.18   0.09   0.22     0.08  -0.04  -0.11     0.02  -0.06  -0.00
    36   1    -0.03   0.26  -0.05     0.01  -0.14   0.01    -0.01   0.04  -0.01
    37   1    -0.04   0.15  -0.01     0.02  -0.09   0.01    -0.00  -0.06   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    998.5077              1000.8016              1008.6616
 Red. masses --      1.2447                 1.2587                 1.2682
 Frc consts  --      0.7312                 0.7428                 0.7602
 IR Inten    --     11.0218                 1.4117                 9.7873
 RamAct Fr= 1--      0.1898                 0.8145                 0.4346
  Dep-P Fr= 1--      0.7500                 0.0264                 0.3063
  Dep-U Fr= 1--      0.8571                 0.0514                 0.4689
 Alpha2 Fr= 1--      0.0000                 0.0170                 0.0044
 Beta2  Fr= 1--      0.0271                 0.0070                 0.0340
 AlphaG Fr= 1--     -0.0000                -0.0058                -0.1080
 Gamma2 Fr= 1--      1.3616                 0.6110                -1.1867
 Delta2 Fr= 1--      0.1496                -0.0062                 0.2040
 Raman1 Fr= 1--       0.759                  3.258                  1.738
 ROA1   Fr= 1--     135.497                 58.452               -107.393
 CID1   Fr= 1--     178.448                 17.940                -61.776
 Raman2 Fr= 1--       0.325                  0.084                  0.408
 ROA2   Fr= 1--      31.481                 14.713                -30.112
 CID2   Fr= 1--      96.744                175.806                -73.877
 Raman3 Fr= 1--       0.651                  0.167                  0.815
 ROA3   Fr= 1--     135.497                 58.452               -107.393
 CID3   Fr= 1--     208.195                349.228               -131.740
 RC180  Fr= 1--       0.714                 -0.897                 -0.062
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.03     0.04  -0.02  -0.01    -0.04   0.04   0.03
     2   6     0.01  -0.06  -0.03    -0.02   0.02   0.02     0.01  -0.05  -0.03
     3   7    -0.01   0.01  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.01  -0.00    -0.00  -0.01   0.01     0.01   0.01  -0.00
     6   6     0.01   0.06  -0.03     0.02   0.02  -0.02    -0.02  -0.05   0.03
     7   6    -0.05  -0.05   0.03    -0.04  -0.01   0.01     0.04   0.04  -0.03
     8   7     0.01   0.02  -0.00     0.01   0.00   0.01    -0.01  -0.02   0.00
     9   7     0.01  -0.01  -0.00    -0.01   0.00  -0.01     0.00  -0.02  -0.00
    10   7    -0.00   0.00   0.00    -0.01   0.00  -0.02    -0.01  -0.00  -0.01
    11   6     0.00   0.00  -0.00     0.07  -0.02   0.05     0.03  -0.01   0.04
    12   1     0.00   0.16  -0.13    -0.01   0.11  -0.09     0.00  -0.15   0.10
    13   1     0.21  -0.15   0.10     0.11  -0.07   0.06    -0.17   0.13  -0.09
    14   1    -0.17  -0.08   0.13    -0.04  -0.03   0.04     0.14   0.06  -0.10
    15   1     0.24  -0.13  -0.09     0.10  -0.04  -0.02    -0.19   0.10   0.08
    16   1    -0.16   0.08   0.12     0.04  -0.03  -0.05    -0.13   0.07   0.10
    17   1     0.23   0.11  -0.08    -0.12  -0.04   0.03     0.20   0.09  -0.08
    18   1    -0.00  -0.16  -0.12     0.01   0.12   0.10    -0.01  -0.16  -0.11
    19   1     0.20   0.13   0.10    -0.13  -0.07  -0.07     0.18   0.12   0.09
    20   1     0.23   0.14   0.03    -0.13  -0.08  -0.01     0.22   0.13   0.04
    21   1    -0.14  -0.12  -0.03     0.07   0.08   0.01    -0.12  -0.11  -0.02
    22   1     0.26   0.13  -0.02    -0.12  -0.06   0.01     0.21   0.11  -0.03
    23   1    -0.20  -0.03   0.01     0.13   0.05  -0.02    -0.17  -0.06   0.02
    24   1     0.26  -0.14  -0.02     0.10  -0.06  -0.01    -0.21   0.12   0.03
    25   1    -0.20   0.05   0.02    -0.11   0.05   0.02     0.16  -0.07  -0.02
    26   1     0.24  -0.16   0.03     0.11  -0.08   0.01    -0.21   0.14  -0.04
    27   1    -0.14   0.14  -0.03    -0.05   0.07  -0.01     0.12  -0.11   0.02
    28   6    -0.00  -0.00  -0.00    -0.07  -0.02  -0.05    -0.03  -0.01  -0.04
    29   7    -0.00  -0.00   0.00     0.01   0.00   0.02     0.01  -0.00   0.01
    30   1    -0.00  -0.01  -0.00    -0.05  -0.24  -0.04    -0.03  -0.13  -0.01
    31   1    -0.01   0.01   0.01     0.04   0.35   0.00     0.04   0.20  -0.01
    32   1    -0.00   0.00   0.00     0.12   0.30  -0.02     0.07   0.19  -0.00
    33   1    -0.00  -0.00  -0.01    -0.20  -0.11  -0.11    -0.14  -0.06  -0.06
    34   1     0.01  -0.01   0.00     0.20  -0.12   0.12     0.13  -0.07   0.06
    35   1    -0.01   0.02   0.01    -0.11   0.30   0.03    -0.06   0.20   0.00
    36   1    -0.00  -0.01   0.00     0.04  -0.24   0.04     0.02  -0.14   0.01
    37   1    -0.01   0.01   0.01    -0.02   0.35  -0.00    -0.03   0.20   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.2131              1048.8355              1050.3416
 Red. masses --      3.1942                 3.1878                 3.1363
 Frc consts  --      2.0678                 2.0661                 2.0386
 IR Inten    --     67.9328                59.4079                 9.0356
 RamAct Fr= 1--      0.1490                 1.1390                 1.2548
  Dep-P Fr= 1--      0.7483                 0.7189                 0.5537
  Dep-U Fr= 1--      0.8560                 0.8365                 0.7128
 Alpha2 Fr= 1--      0.0000                 0.0006                 0.0047
 Beta2  Fr= 1--      0.0213                 0.1588                 0.1491
 AlphaG Fr= 1--     -0.0001                 0.0115                -0.0126
 Gamma2 Fr= 1--      0.8542                -0.5074                 0.2711
 Delta2 Fr= 1--      0.4474                -0.8803                 1.0280
 Raman1 Fr= 1--       0.596                  4.556                  5.019
 ROA1   Fr= 1--      96.318                -76.884                 58.918
 CID1   Fr= 1--     161.586                -16.876                 11.739
 Raman2 Fr= 1--       0.255                  1.905                  1.789
 ROA2   Fr= 1--      16.921                 -5.136                 -1.718
 CID2   Fr= 1--      66.327                 -2.695                 -0.961
 Raman3 Fr= 1--       0.510                  3.811                  3.577
 ROA3   Fr= 1--      96.318                -76.884                 58.918
 CID3   Fr= 1--     188.767                -20.175                 16.469
 RC180  Fr= 1--       0.712                  0.673                  0.426
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.14    -0.01  -0.03   0.05     0.03   0.11  -0.15
     2   6     0.09  -0.03   0.15    -0.02   0.01  -0.05     0.10  -0.04   0.16
     3   7    -0.10  -0.01  -0.01     0.03   0.00   0.01    -0.11  -0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.12   0.01  -0.01    -0.02   0.00  -0.01     0.10  -0.01   0.01
     6   6     0.11   0.03   0.17     0.02   0.00   0.04    -0.09  -0.03  -0.14
     7   6     0.03  -0.11  -0.16     0.01  -0.02  -0.04    -0.02   0.10   0.14
     8   7    -0.06   0.10   0.01    -0.01   0.02   0.00     0.05  -0.08  -0.01
     9   7    -0.06  -0.08   0.01     0.02   0.03  -0.00    -0.06  -0.09   0.01
    10   7    -0.00   0.00   0.00     0.01   0.13   0.07     0.00   0.03   0.02
    11   6     0.00  -0.00  -0.00     0.16  -0.10  -0.17     0.04  -0.03  -0.05
    12   1     0.08  -0.11  -0.32     0.02  -0.05  -0.06    -0.07   0.11   0.29
    13   1     0.09  -0.17  -0.20    -0.00  -0.02  -0.05    -0.07   0.14   0.16
    14   1     0.14  -0.01   0.33     0.03   0.00   0.05    -0.11   0.01  -0.29
    15   1     0.17   0.00   0.20     0.03   0.01   0.05    -0.16   0.00  -0.17
    16   1     0.12   0.01   0.29    -0.04   0.00  -0.08     0.12   0.01   0.33
    17   1     0.15  -0.01   0.17    -0.04   0.01  -0.07     0.18  -0.00   0.20
    18   1     0.07   0.09  -0.28    -0.03  -0.05   0.08     0.09   0.12  -0.33
    19   1     0.08   0.14  -0.18    -0.00  -0.03   0.06     0.09   0.15  -0.18
    20   1    -0.01  -0.05   0.04     0.03   0.03  -0.01    -0.01  -0.07   0.03
    21   1     0.12   0.03   0.04    -0.06  -0.02  -0.02     0.11   0.03   0.04
    22   1    -0.06   0.02  -0.04     0.03   0.00   0.00    -0.04   0.03  -0.04
    23   1     0.11   0.09  -0.04    -0.03  -0.04   0.02     0.08   0.08  -0.04
    24   1    -0.07  -0.02  -0.04    -0.02   0.01  -0.00     0.03   0.03   0.03
    25   1     0.12  -0.11  -0.05     0.02  -0.03  -0.01    -0.06   0.07   0.03
    26   1    -0.00   0.06   0.04    -0.03   0.03   0.01     0.01  -0.06  -0.03
    27   1     0.14  -0.04   0.05     0.05  -0.02   0.01    -0.10   0.03  -0.04
    28   6    -0.00  -0.00   0.00    -0.16  -0.10   0.17    -0.04  -0.03   0.05
    29   7    -0.00   0.00  -0.00    -0.01   0.13  -0.07     0.00   0.03  -0.02
    30   1    -0.00  -0.01   0.00    -0.04  -0.18   0.06    -0.01  -0.03   0.02
    31   1     0.00   0.00  -0.00    -0.02   0.05   0.08    -0.00   0.02   0.02
    32   1     0.01  -0.01  -0.01     0.19  -0.20  -0.20     0.05  -0.06  -0.06
    33   1     0.01  -0.01  -0.01     0.37  -0.17  -0.21     0.11  -0.05  -0.06
    34   1    -0.01  -0.00   0.00    -0.38  -0.15   0.21    -0.11  -0.04   0.06
    35   1    -0.00  -0.00   0.00    -0.20  -0.20   0.20    -0.06  -0.06   0.06
    36   1    -0.00  -0.00  -0.00     0.03  -0.18  -0.06     0.01  -0.03  -0.02
    37   1     0.00  -0.00  -0.01     0.02   0.05  -0.08     0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1111.6532              1118.8637              1119.3578
 Red. masses --      1.0209                 1.0281                 1.0262
 Frc consts  --      0.7433                 0.7583                 0.7576
 IR Inten    --      0.4538                 0.5040                 0.1639
 RamAct Fr= 1--      0.3579                 0.5634                 0.7622
  Dep-P Fr= 1--      0.7480                 0.7460                 0.7496
  Dep-U Fr= 1--      0.8558                 0.8545                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0511                 0.0802                 0.1089
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.2323                 0.1766                -0.8141
 Delta2 Fr= 1--     -0.0681                -0.0237                -0.3012
 Raman1 Fr= 1--       1.432                  2.254                  3.049
 ROA1   Fr= 1--     -24.478                 16.194                -87.790
 CID1   Fr= 1--     -17.096                  7.186                -28.795
 Raman2 Fr= 1--       0.613                  0.963                  1.306
 ROA2   Fr= 1--      -5.030                  4.427                -17.128
 CID2   Fr= 1--      -8.210                  4.598                -13.112
 Raman3 Fr= 1--       1.225                  1.926                  2.612
 ROA3   Fr= 1--     -24.478                 16.194                -87.790
 CID3   Fr= 1--     -19.976                  8.409                -33.604
 RC180  Fr= 1--       0.712                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     3   7    -0.01  -0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.01     0.01  -0.00   0.00     0.01   0.00   0.01
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     8   7     0.00  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.01   0.01
     9   7     0.00   0.01  -0.01    -0.01  -0.00  -0.01     0.01   0.01  -0.01
    10   7     0.00  -0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    12   1     0.04  -0.10  -0.07    -0.04   0.11   0.10    -0.03   0.07   0.05
    13   1    -0.08   0.15   0.17     0.08  -0.16  -0.18     0.08  -0.13  -0.14
    14   1    -0.10  -0.01  -0.09     0.10   0.01   0.10     0.09   0.01   0.06
    15   1     0.17  -0.00   0.18    -0.17  -0.00  -0.18    -0.15   0.01  -0.14
    16   1    -0.10   0.02  -0.08     0.01  -0.00   0.02    -0.14   0.02  -0.12
    17   1     0.16  -0.00   0.17    -0.02   0.01  -0.03     0.22  -0.00   0.24
    18   1     0.04   0.10  -0.07    -0.01  -0.03   0.04     0.05   0.13  -0.11
    19   1    -0.09  -0.14   0.16     0.01   0.03  -0.03    -0.13  -0.20   0.23
    20   1    -0.22  -0.16  -0.00     0.05   0.03   0.02    -0.31  -0.21  -0.01
    21   1     0.09   0.14   0.01     0.02   0.01  -0.00     0.11   0.17   0.00
    22   1     0.25   0.10   0.01    -0.05  -0.02   0.01     0.35   0.15   0.00
    23   1    -0.15   0.01  -0.01    -0.01  -0.02   0.00    -0.21  -0.02   0.00
    24   1     0.25  -0.12   0.01    -0.26   0.13   0.01    -0.21   0.10  -0.01
    25   1    -0.16  -0.00  -0.00     0.14  -0.01  -0.00     0.16  -0.04  -0.00
    26   1    -0.23   0.17  -0.00     0.24  -0.18   0.02     0.18  -0.14  -0.01
    27   1     0.09  -0.14   0.00    -0.05   0.11  -0.00    -0.09   0.13  -0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    29   7     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    30   1    -0.03  -0.12  -0.05    -0.03  -0.16  -0.09     0.02   0.09   0.04
    31   1     0.02   0.26   0.02     0.01   0.36   0.04    -0.00  -0.13  -0.01
    32   1    -0.12   0.14   0.12    -0.17   0.19   0.18     0.07  -0.08  -0.07
    33   1     0.06  -0.08  -0.08     0.06  -0.12  -0.13    -0.02   0.03   0.03
    34   1     0.06   0.07  -0.08     0.06   0.11  -0.12    -0.03  -0.05   0.06
    35   1    -0.12  -0.13   0.12    -0.18  -0.19   0.18     0.06   0.07  -0.07
    36   1    -0.02   0.12  -0.05    -0.03   0.18  -0.09     0.01  -0.05   0.03
    37   1     0.01  -0.26   0.02    -0.00  -0.35   0.03     0.00   0.15  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1170.6366              1172.2226              1189.7807
 Red. masses --      1.0742                 1.0712                 1.0612
 Frc consts  --      0.8674                 0.8672                 0.8851
 IR Inten    --     73.7737                68.4862                 0.8745
 RamAct Fr= 1--      9.0151                 8.3831                 7.6211
  Dep-P Fr= 1--      0.7357                 0.7499                 0.2825
  Dep-U Fr= 1--      0.8477                 0.8571                 0.4405
 Alpha2 Fr= 1--      0.0022                 0.0000                 0.0823
 Beta2  Fr= 1--      1.2737                 1.1975                 0.5596
 AlphaG Fr= 1--      0.0307                 0.0001                 0.0136
 Gamma2 Fr= 1--     -3.1089                 1.4897                 0.4801
 Delta2 Fr= 1--      3.0849                 5.2006                -4.8680
 Raman1 Fr= 1--      36.060                 33.532                 30.484
 ROA1   Fr= 1--    -199.741                309.431               -109.691
 CID1   Fr= 1--      -5.539                  9.228                 -3.598
 Raman2 Fr= 1--      15.285                 14.370                  6.715
 ROA2   Fr= 1--     -99.294                 -5.852                 50.465
 CID2   Fr= 1--      -6.496                 -0.407                  7.515
 Raman3 Fr= 1--      30.570                 28.740                 13.430
 ROA3   Fr= 1--    -199.741                309.431               -109.691
 CID3   Fr= 1--      -6.534                 10.766                 -8.168
 RC180  Fr= 1--       0.695                  0.714                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   7    -0.01  -0.00   0.01    -0.03  -0.01   0.02    -0.03  -0.00   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.01  -0.01  -0.01    -0.03   0.01   0.01     0.03  -0.01  -0.01
     6   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.01
     8   7     0.01  -0.01   0.01    -0.02   0.02  -0.02     0.02  -0.02   0.01
     9   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.02    -0.02  -0.02  -0.01
    10   7    -0.02  -0.04   0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
    12   1     0.04  -0.10  -0.12    -0.08   0.18   0.21     0.07  -0.18  -0.18
    13   1    -0.01   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1     0.09   0.00   0.10    -0.20  -0.02  -0.21     0.19   0.02   0.19
    15   1    -0.01   0.01   0.00     0.02  -0.00   0.01    -0.02   0.00  -0.02
    16   1    -0.08   0.00  -0.09    -0.20   0.02  -0.22    -0.19   0.03  -0.19
    17   1     0.01   0.01  -0.01     0.01   0.00   0.01     0.02   0.00   0.02
    18   1    -0.04  -0.09   0.11    -0.09  -0.18   0.22    -0.08  -0.17   0.18
    19   1     0.01   0.02  -0.02     0.02   0.02  -0.02     0.01   0.01  -0.01
    20   1     0.10   0.06   0.05     0.17   0.09   0.10     0.14   0.07   0.07
    21   1     0.16   0.09   0.02     0.28   0.17   0.04     0.25   0.16   0.04
    22   1     0.05   0.03  -0.04     0.17   0.09  -0.09     0.15   0.08  -0.07
    23   1     0.12   0.05  -0.01     0.31   0.17  -0.04     0.26   0.13  -0.03
    24   1    -0.06   0.04   0.04     0.17  -0.10  -0.09    -0.15   0.09   0.07
    25   1    -0.13   0.07   0.01     0.30  -0.18  -0.04    -0.26   0.14   0.03
    26   1    -0.10   0.06  -0.05     0.15  -0.09   0.10    -0.13   0.08  -0.07
    27   1    -0.17   0.11  -0.02     0.27  -0.18   0.04    -0.24   0.17  -0.04
    28   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    29   7     0.02  -0.04  -0.00    -0.00   0.00   0.00    -0.01   0.02  -0.01
    30   1     0.05   0.43  -0.01     0.00   0.03  -0.01    -0.03  -0.23  -0.01
    31   1     0.11   0.23  -0.04     0.00  -0.00   0.00    -0.05  -0.10   0.03
    32   1    -0.01   0.02   0.01     0.01  -0.02  -0.01    -0.01  -0.03  -0.01
    33   1     0.19  -0.20  -0.22    -0.00   0.00  -0.00    -0.09   0.13   0.14
    34   1    -0.20  -0.20   0.22    -0.01  -0.01   0.01     0.10   0.13  -0.14
    35   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.00  -0.03   0.01
    36   1    -0.03   0.43   0.01    -0.00  -0.01  -0.01     0.02  -0.24   0.01
    37   1    -0.10   0.23   0.04    -0.00   0.01   0.00     0.05  -0.10  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1223.4618              1226.3144              1244.7594
 Red. masses --      1.2544                 1.2485                 1.2398
 Frc consts  --      1.1063                 1.1062                 1.1318
 IR Inten    --      6.1565                 0.1951                32.6750
 RamAct Fr= 1--      5.1973                 6.2050                 1.0060
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.7425                 0.8861                 0.1437
 AlphaG Fr= 1--     -0.0000                -0.0001                 0.0000
 Gamma2 Fr= 1--      1.2557                -3.8522                -0.3125
 Delta2 Fr= 1--      0.1915                -0.2867                -0.0437
 Raman1 Fr= 1--      20.789                 24.820                  4.024
 ROA1   Fr= 1--     126.673               -378.985                -31.396
 CID1   Fr= 1--       6.093                -15.269                 -7.802
 Raman2 Fr= 1--       8.910                 10.633                  1.724
 ROA2   Fr= 1--      28.604                -90.159                 -7.149
 CID2   Fr= 1--       3.211                 -8.479                 -4.146
 Raman3 Fr= 1--      17.819                 21.266                  3.449
 ROA3   Fr= 1--     126.673               -378.985                -31.396
 CID3   Fr= 1--       7.109                -17.821                 -9.104
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.01    -0.03  -0.02  -0.02    -0.03  -0.01  -0.01
     2   6     0.01   0.01  -0.01     0.03   0.02  -0.02     0.03   0.02  -0.01
     3   7    -0.02  -0.01   0.02    -0.04  -0.02   0.03    -0.04  -0.02   0.02
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.02   0.01   0.02     0.04  -0.02  -0.03    -0.03   0.02   0.02
     6   6     0.01  -0.01  -0.01    -0.03   0.02   0.02     0.03  -0.02  -0.01
     7   6    -0.02   0.01  -0.01     0.03  -0.02   0.02    -0.03   0.01  -0.01
     8   7     0.02  -0.01   0.02    -0.04   0.03  -0.03     0.04  -0.02   0.02
     9   7     0.02   0.01   0.01     0.04   0.02   0.03     0.04   0.02   0.02
    10   7     0.04   0.06  -0.01    -0.00   0.00  -0.01    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01     0.00  -0.00   0.01     0.01   0.02   0.00
    12   1     0.00  -0.02  -0.07    -0.01   0.02   0.13     0.01  -0.03  -0.11
    13   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.00     0.02  -0.01  -0.01
    14   1    -0.00   0.00  -0.08     0.05   0.01   0.15    -0.01  -0.01  -0.08
    15   1     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.03   0.02  -0.03
    16   1    -0.00  -0.00  -0.07    -0.05   0.01  -0.15    -0.01   0.01  -0.08
    17   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.01  -0.02
    18   1     0.00   0.02  -0.06     0.01   0.02  -0.13     0.01   0.03  -0.11
    19   1     0.01   0.01  -0.02     0.01  -0.01   0.00     0.02   0.01  -0.01
    20   1    -0.06  -0.03  -0.05    -0.16  -0.08  -0.14    -0.11  -0.06  -0.09
    21   1    -0.16  -0.12  -0.02    -0.33  -0.22  -0.03    -0.33  -0.20  -0.04
    22   1     0.08   0.05  -0.08     0.16   0.09  -0.13     0.12   0.06  -0.08
    23   1     0.18   0.09  -0.01     0.40   0.17  -0.03     0.33   0.17  -0.03
    24   1     0.09  -0.06  -0.08    -0.15   0.10   0.13     0.11  -0.07  -0.08
    25   1     0.20  -0.11  -0.01    -0.38   0.18   0.03     0.32  -0.18  -0.03
    26   1    -0.07   0.04  -0.06     0.15  -0.08   0.14    -0.11   0.06  -0.09
    27   1    -0.17   0.14  -0.02     0.32  -0.23   0.03    -0.32   0.21  -0.04
    28   6    -0.02   0.05   0.01    -0.01   0.00  -0.01     0.01  -0.03   0.00
    29   7     0.03  -0.06  -0.01     0.01  -0.00   0.01    -0.02   0.03  -0.00
    30   1    -0.06  -0.53  -0.01     0.01   0.03   0.02     0.03   0.28   0.02
    31   1    -0.13  -0.18   0.06    -0.00  -0.01  -0.01     0.09   0.13  -0.05
    32   1    -0.02   0.04   0.01     0.02   0.02  -0.00    -0.02   0.05   0.05
    33   1    -0.13   0.01   0.07     0.00  -0.04  -0.04     0.10  -0.05  -0.08
    34   1    -0.13  -0.01   0.07    -0.01  -0.04   0.04     0.11   0.04  -0.08
    35   1    -0.02  -0.04   0.01    -0.02   0.01   0.00    -0.03  -0.05   0.05
    36   1    -0.04   0.53  -0.01    -0.01   0.05  -0.03     0.02  -0.28   0.02
    37   1    -0.12   0.19   0.06    -0.01  -0.00   0.01     0.08  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2906              1292.6053              1297.3038
 Red. masses --      1.4046                 1.3948                 1.3712
 Frc consts  --      1.3820                 1.3731                 1.3596
 IR Inten    --      0.4428                 0.0353                 1.3624
 RamAct Fr= 1--      2.1767                 5.2202                 1.7471
  Dep-P Fr= 1--      0.5657                 0.0531                 0.6312
  Dep-U Fr= 1--      0.7226                 0.1008                 0.7739
 Alpha2 Fr= 1--      0.0076                 0.1024                 0.0038
 Beta2  Fr= 1--      0.2621                 0.0877                 0.2253
 AlphaG Fr= 1--      0.0007                -0.0095                 0.0160
 Gamma2 Fr= 1--      0.9193                -0.9220                 0.9391
 Delta2 Fr= 1--      0.1350                -1.0769                 1.0807
 Raman1 Fr= 1--       8.707                 20.881                  6.988
 ROA1   Fr= 1--      92.574               -122.970                124.734
 CID1   Fr= 1--      10.632                 -5.889                 17.849
 Raman2 Fr= 1--       3.146                  1.053                  2.704
 ROA2   Fr= 1--      20.984                -13.512                 13.892
 CID2   Fr= 1--       6.670                -12.837                  5.137
 Raman3 Fr= 1--       6.292                  2.105                  5.408
 ROA3   Fr= 1--      92.574               -122.970                124.734
 CID3   Fr= 1--      14.714                -58.415                 23.064
 RC180  Fr= 1--       0.445                 -0.798                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04   0.06   0.03     0.03  -0.05  -0.02
     2   6    -0.03   0.06   0.02     0.03  -0.07  -0.04    -0.02   0.06   0.02
     3   7    -0.00  -0.03  -0.01    -0.00   0.02   0.02    -0.01  -0.02  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00   0.03  -0.02     0.00   0.01  -0.01     0.00  -0.02   0.01
     6   6    -0.05  -0.08   0.04    -0.02  -0.03   0.02     0.02   0.05  -0.02
     7   6     0.05   0.08  -0.04     0.02   0.03  -0.02    -0.03  -0.05   0.02
     8   7    -0.03  -0.01   0.02    -0.01  -0.00   0.01     0.02   0.01  -0.01
     9   7    -0.02   0.01   0.01     0.02  -0.01  -0.02    -0.02   0.01   0.01
    10   7     0.00  -0.01   0.00     0.03  -0.02   0.02     0.02  -0.01   0.01
    11   6    -0.01   0.00  -0.01    -0.06   0.01  -0.06    -0.06   0.00  -0.06
    12   1     0.02  -0.08   0.09    -0.01   0.02   0.06    -0.02   0.06  -0.01
    13   1    -0.05  -0.03  -0.32    -0.02  -0.03  -0.14     0.04  -0.00   0.17
    14   1     0.09   0.02  -0.08    -0.01   0.01  -0.06    -0.06  -0.01   0.03
    15   1    -0.02   0.07   0.31     0.02   0.02   0.13     0.01  -0.04  -0.17
    16   1     0.07  -0.01  -0.03    -0.04   0.01   0.09     0.07  -0.01  -0.03
    17   1    -0.03  -0.04   0.19    -0.00   0.05  -0.26    -0.02  -0.04   0.19
    18   1     0.02   0.07   0.05     0.00  -0.02  -0.10     0.03   0.07   0.02
    19   1    -0.03   0.02  -0.20     0.03  -0.04   0.27    -0.04   0.00  -0.19
    20   1     0.20   0.17  -0.02    -0.23  -0.19   0.02     0.18   0.16  -0.03
    21   1    -0.08  -0.14   0.01     0.08   0.16  -0.01    -0.11  -0.16   0.00
    22   1     0.25   0.08   0.03    -0.27  -0.08  -0.04     0.25   0.08   0.02
    23   1    -0.17   0.01  -0.01     0.21   0.01   0.01    -0.14   0.01  -0.01
    24   1     0.36  -0.13   0.05     0.11  -0.04   0.02    -0.23   0.09  -0.01
    25   1    -0.26   0.00  -0.02    -0.10   0.02  -0.00     0.13   0.00   0.01
    26   1     0.28  -0.26  -0.03     0.10  -0.08  -0.00    -0.16   0.15   0.02
    27   1    -0.11   0.22   0.01    -0.03   0.07   0.01     0.10  -0.16  -0.00
    28   6     0.01  -0.00   0.01     0.06   0.01   0.06     0.06   0.00   0.06
    29   7    -0.01  -0.00  -0.00    -0.03  -0.02  -0.02    -0.02  -0.01  -0.01
    30   1    -0.01  -0.02  -0.03    -0.03  -0.16  -0.11    -0.03  -0.17  -0.10
    31   1     0.00   0.08   0.02     0.00   0.33   0.07     0.00   0.30   0.06
    32   1    -0.06  -0.02   0.03    -0.23  -0.04   0.12    -0.25   0.00   0.15
    33   1     0.01   0.00  -0.01     0.08   0.04   0.01     0.09   0.02  -0.00
    34   1    -0.02   0.02  -0.01    -0.07   0.04  -0.00    -0.09   0.03   0.00
    35   1     0.05  -0.01  -0.02     0.23  -0.06  -0.13     0.25  -0.01  -0.15
    36   1     0.01  -0.05   0.02     0.02  -0.15   0.11     0.02  -0.18   0.10
    37   1     0.00   0.07  -0.02     0.01   0.33  -0.07     0.01   0.30  -0.06
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.4597              1333.7213              1340.3173
 Red. masses --      1.1857                 1.1927                 1.1701
 Frc consts  --      1.2385                 1.2500                 1.2384
 IR Inten    --     24.5007                27.3947                 0.0260
 RamAct Fr= 1--      3.1844                 3.0957                 2.0635
  Dep-P Fr= 1--      0.7499                 0.7488                 0.3262
  Dep-U Fr= 1--      0.8571                 0.8564                 0.4920
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0195
 Beta2  Fr= 1--      0.4549                 0.4418                 0.1692
 AlphaG Fr= 1--      0.0001                 0.0031                 0.0208
 Gamma2 Fr= 1--     -5.0233                 3.2082                -2.5700
 Delta2 Fr= 1--     -5.2229                 1.6766                -1.9918
 Raman1 Fr= 1--      12.738                 12.383                  8.254
 ROA1   Fr= 1--    -649.372                361.644               -310.458
 CID1   Fr= 1--     -50.980                 29.206                -37.614
 Raman2 Fr= 1--       5.459                  5.302                  2.030
 ROA2   Fr= 1--     -78.776                 63.585                -45.746
 CID2   Fr= 1--     -14.431                 11.992                -22.532
 Raman3 Fr= 1--      10.917                 10.604                  4.060
 ROA3   Fr= 1--    -649.372                361.644               -310.458
 CID3   Fr= 1--     -59.481                 34.103                -76.459
 RC180  Fr= 1--       0.714                  0.713                 -0.016
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.04     0.01  -0.01   0.02    -0.01   0.01  -0.03
     2   6     0.00   0.01  -0.04    -0.00   0.01  -0.02    -0.01  -0.00   0.02
     3   7    -0.02  -0.04   0.01    -0.01  -0.03   0.01     0.02   0.02  -0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.02   0.04   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   6     0.00  -0.01  -0.04     0.00   0.01   0.02     0.01  -0.00  -0.02
     7   6     0.01   0.00   0.04    -0.01  -0.01  -0.02     0.01   0.01   0.03
     8   7    -0.04  -0.00  -0.02     0.02   0.00   0.00    -0.04  -0.00  -0.01
     9   7    -0.04   0.00  -0.02    -0.02   0.00  -0.01     0.04  -0.00   0.01
    10   7     0.00  -0.00   0.00    -0.01  -0.04   0.03     0.00  -0.03   0.02
    11   6    -0.00  -0.00  -0.00     0.04   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.10  -0.25  -0.19    -0.06   0.14   0.12     0.10  -0.22  -0.19
    13   1    -0.07   0.15   0.22     0.05  -0.08  -0.09    -0.09   0.17   0.19
    14   1     0.28   0.02   0.23    -0.15  -0.01  -0.10     0.14   0.01   0.10
    15   1    -0.18  -0.01  -0.23     0.08   0.00   0.10    -0.10  -0.01  -0.16
    16   1     0.27  -0.03   0.22     0.18  -0.02   0.12    -0.16   0.02  -0.12
    17   1    -0.17   0.01  -0.22    -0.10   0.01  -0.12     0.12  -0.01   0.17
    18   1     0.10   0.23  -0.17     0.07   0.14  -0.12    -0.10  -0.20   0.17
    19   1    -0.07  -0.14   0.20    -0.05  -0.09   0.10     0.09   0.16  -0.19
    20   1     0.13   0.11   0.06     0.10   0.08   0.02    -0.16  -0.13  -0.05
    21   1     0.13   0.05   0.02     0.05   0.00   0.01    -0.13  -0.03  -0.02
    22   1     0.18   0.06  -0.05     0.14   0.05  -0.04    -0.13  -0.05   0.03
    23   1     0.08   0.09  -0.02     0.06   0.05  -0.01    -0.10  -0.06   0.01
    24   1     0.19  -0.07  -0.06    -0.12   0.05   0.03     0.11  -0.05  -0.03
    25   1     0.08  -0.10  -0.02    -0.05   0.05   0.01     0.11  -0.06  -0.01
    26   1     0.14  -0.12   0.07    -0.09   0.08  -0.02     0.17  -0.15   0.05
    27   1     0.14  -0.05   0.02    -0.04  -0.00  -0.01     0.13  -0.03   0.02
    28   6     0.00   0.00  -0.00    -0.04   0.01   0.02    -0.02   0.01   0.02
    29   7     0.00   0.00   0.00     0.01  -0.04  -0.03    -0.00  -0.03  -0.02
    30   1    -0.00  -0.01  -0.01     0.01   0.16  -0.04     0.00   0.09  -0.04
    31   1    -0.01   0.02   0.01     0.08   0.21   0.01     0.05   0.22   0.02
    32   1    -0.01  -0.02  -0.00     0.20  -0.16  -0.19     0.09  -0.13  -0.11
    33   1    -0.02   0.01   0.01    -0.15   0.26   0.26    -0.09   0.17   0.16
    34   1    -0.03  -0.02   0.02     0.16   0.25  -0.25     0.10   0.17  -0.16
    35   1     0.01   0.03  -0.01    -0.20  -0.15   0.19    -0.10  -0.13   0.11
    36   1    -0.00   0.00  -0.01    -0.00   0.16   0.04    -0.00   0.09   0.04
    37   1    -0.00  -0.03   0.01    -0.07   0.21  -0.01    -0.04   0.22  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.5049              1348.6581              1350.4537
 Red. masses --      1.1947                 1.1898                 1.1935
 Frc consts  --      1.2781                 1.2751                 1.2824
 IR Inten    --      8.2756                 1.8523                 9.5788
 RamAct Fr= 1--      3.3025                10.5443                 8.4450
  Dep-P Fr= 1--      0.7493                 0.7489                 0.7499
  Dep-U Fr= 1--      0.8567                 0.8564                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0000
 Beta2  Fr= 1--      0.4716                 1.5051                 1.2063
 AlphaG Fr= 1--      0.0001                 0.0006                -0.0000
 Gamma2 Fr= 1--      3.4647                12.6834                -6.4231
 Delta2 Fr= 1--      0.7278                 3.0620                -0.4806
 Raman1 Fr= 1--      13.210                 42.177                 33.780
 ROA1   Fr= 1--     355.898               1315.590               -631.999
 CID1   Fr= 1--      26.942                 31.192                -18.709
 Raman2 Fr= 1--       5.659                 18.061                 14.476
 ROA2   Fr= 1--      77.331                279.906               -150.310
 CID2   Fr= 1--      13.666                 15.498                -10.383
 Raman3 Fr= 1--      11.317                 36.122                 28.952
 ROA3   Fr= 1--     355.898               1315.590               -631.999
 CID3   Fr= 1--      31.448                 36.421                -21.829
 RC180  Fr= 1--       0.713                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.01    -0.00   0.05  -0.00     0.00   0.01  -0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.03  -0.01    -0.01   0.00  -0.00
     3   7    -0.00  -0.04  -0.00    -0.01  -0.05  -0.00     0.00  -0.01  -0.00
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.04  -0.00     0.01  -0.04   0.00     0.00   0.01  -0.00
     6   6    -0.04  -0.03  -0.01     0.03   0.03   0.01    -0.01  -0.00  -0.00
     7   6    -0.01  -0.05  -0.01     0.00   0.04   0.00     0.00  -0.01   0.00
     8   7     0.04   0.01  -0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     9   7     0.04  -0.02   0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.04
    11   6    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01   0.03   0.06
    12   1    -0.11   0.23   0.26     0.09  -0.20  -0.20    -0.01   0.03   0.04
    13   1     0.11  -0.16  -0.06    -0.07   0.11   0.03     0.01  -0.01   0.01
    14   1     0.25   0.01   0.26    -0.27  -0.01  -0.27     0.05   0.00   0.06
    15   1    -0.18   0.02  -0.07     0.19  -0.02   0.10    -0.04   0.00  -0.03
    16   1     0.21  -0.01   0.23     0.28  -0.02   0.28     0.05  -0.00   0.06
    17   1    -0.15  -0.01  -0.05    -0.20  -0.01  -0.10    -0.04  -0.00  -0.02
    18   1    -0.13  -0.23   0.27    -0.11  -0.21   0.23    -0.02  -0.03   0.05
    19   1     0.12   0.15  -0.07     0.09   0.12  -0.04     0.01   0.01   0.01
    20   1    -0.21  -0.19  -0.02    -0.19  -0.17  -0.01    -0.01  -0.02   0.01
    21   1    -0.02   0.08  -0.01     0.00   0.09  -0.01     0.04   0.04   0.00
    22   1     0.21   0.06  -0.00     0.30   0.09  -0.01     0.05   0.01   0.00
    23   1    -0.08   0.04  -0.01    -0.05   0.05  -0.02    -0.03   0.00  -0.00
    24   1     0.25  -0.08  -0.01    -0.28   0.10   0.01     0.04  -0.01   0.00
    25   1    -0.08  -0.05  -0.02     0.04   0.05   0.02    -0.03  -0.00  -0.00
    26   1    -0.20   0.20  -0.02     0.16  -0.16   0.01    -0.01   0.01   0.01
    27   1    -0.01  -0.09  -0.01    -0.00   0.08   0.01     0.04  -0.04   0.01
    28   6    -0.00   0.01  -0.01     0.00   0.00  -0.01     0.00  -0.03   0.06
    29   7     0.00   0.01   0.01    -0.00   0.01   0.00    -0.02  -0.04  -0.04
    30   1    -0.00  -0.01  -0.02    -0.00  -0.02   0.01     0.02   0.03   0.11
    31   1     0.01   0.06   0.01    -0.01  -0.03   0.00    -0.05  -0.37  -0.07
    32   1     0.01  -0.03  -0.03    -0.02   0.00   0.02    -0.04   0.21   0.12
    33   1    -0.04   0.06   0.07     0.01  -0.03  -0.03     0.27  -0.30  -0.30
    34   1    -0.03  -0.05   0.06    -0.01  -0.04   0.04     0.28   0.29  -0.31
    35   1     0.01   0.02  -0.02     0.02   0.01  -0.02    -0.04  -0.21   0.12
    36   1    -0.00   0.02  -0.01    -0.00  -0.02  -0.01     0.02  -0.03   0.11
    37   1     0.01  -0.05   0.01     0.01  -0.04  -0.00    -0.04   0.38  -0.07
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.6482              1405.3722              1406.9164
 Red. masses --      1.2658                 1.2682                 1.2640
 Frc consts  --      1.4714                 1.4757                 1.4741
 IR Inten    --      0.5887                 1.1744                 1.3061
 RamAct Fr= 1--      0.7246                 1.9445                 1.3684
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1035                 0.2776                 0.1955
 AlphaG Fr= 1--     -0.0000                 0.0001                -0.0000
 Gamma2 Fr= 1--     -0.6958                -2.7052                 1.8895
 Delta2 Fr= 1--     -0.2608                -1.1165                 0.9067
 Raman1 Fr= 1--       2.898                  7.778                  5.474
 ROA1   Fr= 1--     -75.145               -295.424                210.412
 CID1   Fr= 1--     -25.927                -37.982                 38.442
 Raman2 Fr= 1--       1.242                  3.332                  2.346
 ROA2   Fr= 1--     -14.614                -55.991                 38.095
 CID2   Fr= 1--     -11.765                -16.806                 16.241
 Raman3 Fr= 1--       2.484                  6.663                  4.691
 ROA3   Fr= 1--     -75.145               -295.424                210.412
 CID3   Fr= 1--     -30.248                -44.337                 44.853
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.05     0.04   0.02  -0.06    -0.01  -0.01   0.02
     2   6    -0.03  -0.01  -0.05    -0.04  -0.02  -0.07     0.01   0.00   0.02
     3   7    -0.01   0.01   0.01    -0.01   0.01   0.02     0.01  -0.00  -0.01
     4  45    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.01   0.02     0.01   0.01  -0.02     0.01   0.00  -0.01
     6   6    -0.04   0.02  -0.06     0.03  -0.02   0.05     0.01  -0.01   0.02
     7   6     0.04  -0.03  -0.06    -0.03   0.02   0.05    -0.01   0.01   0.02
     8   7    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.00   0.01  -0.01
     9   7    -0.00   0.01   0.02    -0.00   0.02   0.02    -0.00  -0.01  -0.01
    10   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.01  -0.01
    11   6     0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.07  -0.06  -0.03
    12   1    -0.07   0.16   0.23     0.06  -0.12  -0.20     0.02  -0.05  -0.06
    13   1    -0.14   0.27   0.24     0.09  -0.21  -0.20     0.04  -0.07  -0.06
    14   1     0.16   0.00   0.25    -0.13  -0.00  -0.21    -0.05  -0.00  -0.07
    15   1     0.29   0.01   0.26    -0.25  -0.01  -0.23    -0.09   0.00  -0.08
    16   1     0.12  -0.01   0.19     0.17  -0.01   0.26    -0.06   0.01  -0.07
    17   1     0.22  -0.02   0.20     0.31  -0.03   0.29    -0.10   0.00  -0.09
    18   1    -0.06  -0.12   0.17    -0.08  -0.15   0.25     0.02   0.05  -0.06
    19   1    -0.12  -0.21   0.19    -0.13  -0.26   0.25     0.04   0.08  -0.06
    20   1     0.08   0.08  -0.02     0.10   0.10  -0.02    -0.02  -0.03   0.01
    21   1    -0.06  -0.08   0.01    -0.08  -0.10   0.01     0.04   0.04   0.00
    22   1    -0.09  -0.02  -0.02    -0.15  -0.04  -0.03     0.04   0.01   0.01
    23   1     0.10   0.01   0.01     0.13   0.02   0.01    -0.06  -0.01  -0.00
    24   1    -0.13   0.04  -0.03     0.12  -0.03   0.03     0.03  -0.01   0.01
    25   1     0.13  -0.02   0.01    -0.10   0.03  -0.01    -0.06   0.01  -0.00
    26   1     0.10  -0.11  -0.02    -0.07   0.08   0.02    -0.02   0.02   0.01
    27   1    -0.07   0.11   0.01     0.06  -0.08  -0.00     0.04  -0.04   0.00
    28   6     0.03   0.02  -0.01     0.00   0.00   0.00     0.07   0.05  -0.03
    29   7    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.01  -0.01
    30   1     0.00   0.05   0.02     0.00   0.02   0.00     0.02   0.15   0.07
    31   1     0.00  -0.06  -0.02     0.00  -0.02  -0.01     0.01  -0.18  -0.06
    32   1    -0.08   0.09   0.11    -0.02   0.04   0.03    -0.23   0.32   0.30
    33   1    -0.09   0.05   0.05    -0.01   0.02   0.02    -0.24   0.17   0.20
    34   1    -0.09  -0.05   0.06    -0.02   0.00  -0.00    -0.25  -0.16   0.20
    35   1    -0.09  -0.10   0.11    -0.01   0.01   0.01    -0.24  -0.31   0.31
    36   1     0.00  -0.05   0.02     0.00  -0.00   0.00     0.01  -0.15   0.07
    37   1     0.01   0.06  -0.02    -0.00   0.00   0.00     0.01   0.18  -0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1507              1444.8377              1445.3761
 Red. masses --      1.4462                 1.4516                 1.4413
 Frc consts  --      1.7746                 1.7853                 1.7740
 IR Inten    --      3.8377                 0.8426                 2.5602
 RamAct Fr= 1--      0.5632                 0.2720                 0.6745
  Dep-P Fr= 1--      0.7475                 0.7178                 0.7153
  Dep-U Fr= 1--      0.8555                 0.8357                 0.8340
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0004
 Beta2  Fr= 1--      0.0803                 0.0379                 0.0938
 AlphaG Fr= 1--     -0.0003                 0.0012                -0.0190
 Gamma2 Fr= 1--      0.9775                -1.0771                 0.2880
 Delta2 Fr= 1--      0.6738                -0.7087                 0.3314
 Raman1 Fr= 1--       2.253                  1.088                  2.698
 ROA1   Fr= 1--     115.402               -126.080                 38.254
 CID1   Fr= 1--      51.223               -115.879                 14.178
 Raman2 Fr= 1--       0.964                  0.455                  1.125
 ROA2   Fr= 1--      18.069                -20.180                  4.261
 CID2   Fr= 1--      18.750                -44.387                  3.787
 Raman3 Fr= 1--       1.927                  0.909                  2.250
 ROA3   Fr= 1--     115.402               -126.080                 38.254
 CID3   Fr= 1--      59.875               -138.657                 17.000
 RC180  Fr= 1--       0.711                  0.671                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.08     0.00   0.01  -0.03    -0.01  -0.03   0.09
     2   6    -0.03   0.01  -0.08     0.01  -0.00   0.04    -0.03   0.01  -0.09
     3   7    -0.01   0.01   0.02     0.00  -0.00  -0.01    -0.01   0.00   0.02
     4  45     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00   0.03    -0.00  -0.00   0.01     0.01   0.00  -0.02
     6   6    -0.03  -0.01  -0.10    -0.01  -0.00  -0.03     0.03   0.01   0.07
     7   6    -0.01   0.04   0.10     0.00   0.01   0.03     0.01  -0.03  -0.08
     8   7    -0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.01   0.02
     9   7    -0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00  -0.01  -0.03
    10   7    -0.00  -0.00   0.00    -0.04  -0.01  -0.00    -0.01  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.10  -0.03  -0.07     0.04  -0.01  -0.02
    12   1     0.09  -0.09  -0.17     0.03  -0.04  -0.05    -0.07   0.10   0.14
    13   1     0.08  -0.28  -0.33     0.02  -0.07  -0.08    -0.08   0.24   0.26
    14   1     0.12  -0.04   0.18     0.02  -0.02   0.07    -0.10   0.02  -0.13
    15   1     0.27   0.06   0.34     0.07   0.04   0.12    -0.21  -0.04  -0.25
    16   1     0.10   0.03   0.15    -0.03  -0.03  -0.08     0.11   0.03   0.15
    17   1     0.23  -0.06   0.29    -0.08   0.04  -0.14     0.24  -0.06   0.29
    18   1     0.08   0.08  -0.15    -0.03  -0.04   0.06     0.09   0.11  -0.16
    19   1     0.08   0.24  -0.29    -0.03  -0.08   0.11     0.11   0.27  -0.31
    20   1    -0.05  -0.07   0.06    -0.00   0.01  -0.02    -0.06  -0.08   0.06
    21   1     0.11   0.08  -0.00    -0.04  -0.03   0.00     0.13   0.11  -0.00
    22   1    -0.08  -0.01  -0.05     0.03   0.00   0.02    -0.07  -0.01  -0.07
    23   1     0.12   0.04   0.01    -0.05  -0.02  -0.00     0.14   0.06   0.00
    24   1    -0.09   0.02  -0.06    -0.02   0.00  -0.02     0.06  -0.01   0.06
    25   1     0.14  -0.05   0.01     0.04  -0.02   0.00    -0.12   0.06  -0.00
    26   1    -0.06   0.08   0.07     0.01   0.00   0.02     0.05  -0.07  -0.05
    27   1     0.12  -0.10  -0.00     0.03  -0.03   0.00    -0.11   0.10   0.00
    28   6    -0.00   0.00   0.00    -0.10  -0.03   0.07    -0.04  -0.01   0.02
    29   7    -0.00   0.00  -0.00     0.03  -0.01   0.00     0.01  -0.00   0.00
    30   1     0.00   0.02  -0.00     0.01   0.20   0.03     0.00   0.06   0.02
    31   1     0.01  -0.01  -0.01     0.06  -0.11  -0.07     0.01  -0.06  -0.02
    32   1     0.00   0.02   0.00    -0.30   0.25   0.37    -0.12   0.09   0.15
    33   1     0.01   0.01   0.01    -0.19   0.16   0.11    -0.08   0.04   0.02
    34   1     0.01  -0.00   0.01     0.20   0.15  -0.11     0.08   0.04  -0.02
    35   1     0.00  -0.02  -0.00     0.31   0.24  -0.37     0.12   0.08  -0.15
    36   1    -0.00  -0.01  -0.00     0.00   0.20  -0.03    -0.00   0.05  -0.02
    37   1     0.00   0.01  -0.00    -0.06  -0.11   0.07    -0.01  -0.06   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8905              1503.4571              1503.9151
 Red. masses --      1.0801                 1.0800                 1.0826
 Frc consts  --      1.4374                 1.4384                 1.4427
 IR Inten    --     32.4558                25.4529                16.8824
 RamAct Fr= 1--      4.0483                 7.8923                 6.1898
  Dep-P Fr= 1--      0.6647                 0.5726                 0.3521
  Dep-U Fr= 1--      0.7986                 0.7282                 0.5208
 Alpha2 Fr= 1--      0.0061                 0.0264                 0.0540
 Beta2  Fr= 1--      0.5388                 0.9579                 0.5373
 AlphaG Fr= 1--      0.0009                 0.0573                 0.0478
 Gamma2 Fr= 1--     -0.6697                 0.2063                -0.4818
 Delta2 Fr= 1--     -0.9758                 0.4191                 0.6064
 Raman1 Fr= 1--      16.193                 31.569                 24.759
 ROA1   Fr= 1--     -95.520                 33.219                -26.851
 CID1   Fr= 1--      -5.899                  1.052                 -1.085
 Raman2 Fr= 1--       6.466                 11.495                  6.447
 ROA2   Fr= 1--      -8.267                  1.599                -16.416
 CID2   Fr= 1--      -1.279                  0.139                 -2.546
 Raman3 Fr= 1--      12.931                 22.990                 12.894
 ROA3   Fr= 1--     -95.520                 33.219                -26.851
 CID3   Fr= 1--      -7.387                  1.445                 -2.082
 RC180  Fr= 1--       0.597                  0.456                  0.042
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.03  -0.04  -0.05
     2   6    -0.01  -0.00   0.01     0.02  -0.00  -0.02     0.01  -0.00  -0.01
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.01   0.00  -0.02     0.01   0.00  -0.01
     7   6    -0.01   0.02  -0.02    -0.03   0.05  -0.05     0.00  -0.00   0.00
     8   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   7    -0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.01   0.02   0.01
    12   1    -0.05  -0.21   0.14    -0.12  -0.52   0.33     0.00   0.01  -0.01
    13   1     0.22  -0.04   0.11     0.54  -0.13   0.26    -0.01   0.01   0.00
    14   1     0.06   0.05  -0.05    -0.11  -0.08   0.08    -0.11  -0.08   0.09
    15   1     0.07  -0.06  -0.01    -0.05   0.11   0.09    -0.08   0.11   0.07
    16   1     0.06  -0.05  -0.05    -0.12   0.11   0.10    -0.08   0.06   0.06
    17   1     0.07   0.06  -0.02    -0.11  -0.13   0.08    -0.04  -0.08   0.08
    18   1    -0.01   0.07   0.05     0.00  -0.01  -0.01    -0.09   0.50   0.32
    19   1     0.07   0.01   0.04    -0.02  -0.01   0.00     0.52   0.09   0.26
    20   1     0.02   0.01   0.00    -0.01  -0.01   0.01     0.02   0.01  -0.01
    21   1     0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    22   1    -0.01  -0.01   0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.02
    23   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
    24   1    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.03   0.01   0.01
    25   1     0.02   0.01   0.00     0.03   0.02   0.00     0.00   0.01   0.00
    26   1     0.03  -0.02  -0.00     0.00   0.00  -0.02    -0.01   0.01   0.00
    27   1     0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.01  -0.00
    28   6    -0.03   0.02  -0.00     0.02  -0.01   0.00    -0.02   0.02  -0.01
    29   7    -0.00   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.01  -0.01     0.00  -0.00   0.01    -0.01  -0.02  -0.02
    31   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    32   1     0.16   0.46  -0.22    -0.04  -0.09   0.05    -0.03  -0.19   0.05
    33   1     0.42   0.15   0.32    -0.09  -0.03  -0.06    -0.15  -0.05  -0.11
    34   1     0.25  -0.11   0.19    -0.15   0.06  -0.12     0.19  -0.07   0.14
    35   1     0.11  -0.27  -0.16    -0.05   0.17   0.08     0.04  -0.23  -0.08
    36   1    -0.01   0.00  -0.02    -0.00   0.01   0.00     0.00  -0.01   0.02
    37   1     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.1808              1504.5459              1504.6550
 Red. masses --      1.0781                 1.0812                 1.0803
 Frc consts  --      1.4372                 1.4420                 1.4410
 IR Inten    --     17.4289                 4.2720                 4.0652
 RamAct Fr= 1--      5.1318                 5.3013                 8.6341
  Dep-P Fr= 1--      0.4830                 0.7297                 0.6220
  Dep-U Fr= 1--      0.6514                 0.8437                 0.7670
 Alpha2 Fr= 1--      0.0274                 0.0018                 0.0202
 Beta2  Fr= 1--      0.5571                 0.7455                 1.1037
 AlphaG Fr= 1--     -0.0403                 0.0267                 0.0618
 Gamma2 Fr= 1--     -3.5641                 3.0222                -1.9459
 Delta2 Fr= 1--     -1.9392                 1.6823                -0.2542
 Raman1 Fr= 1--      20.527                 21.205                 34.536
 ROA1   Fr= 1--    -404.208                343.964               -194.941
 CID1   Fr= 1--     -19.691                 16.221                 -5.645
 Raman2 Fr= 1--       6.686                  8.946                 13.244
 ROA2   Fr= 1--     -70.024                 59.074                -44.667
 CID2   Fr= 1--     -10.474                  6.604                 -3.373
 Raman3 Fr= 1--      13.372                 17.891                 26.489
 ROA3   Fr= 1--    -404.208                343.964               -194.941
 CID3   Fr= 1--     -30.229                 19.225                 -7.359
 RC180  Fr= 1--       0.303                  0.687                  0.534
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     2   6     0.04   0.00  -0.03    -0.04  -0.00   0.03    -0.01   0.00   0.01
     3   7     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
     4  45    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     6   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.06  -0.00  -0.04
     7   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    10   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01   0.00
    12   1     0.04   0.15  -0.10    -0.01  -0.03   0.02     0.02   0.06  -0.04
    13   1    -0.17   0.06  -0.06     0.03  -0.00   0.02    -0.09   0.06   0.02
    14   1    -0.04  -0.03   0.03    -0.01  -0.01   0.01    -0.45  -0.35   0.34
    15   1    -0.04   0.04   0.01     0.00   0.01   0.01    -0.41   0.46   0.22
    16   1    -0.29   0.25   0.23     0.31  -0.27  -0.24     0.08  -0.06  -0.06
    17   1    -0.28  -0.30   0.16     0.32   0.32  -0.15     0.06   0.08  -0.05
    18   1    -0.02   0.13   0.08    -0.05   0.24   0.15     0.02  -0.12  -0.08
    19   1     0.13   0.01   0.09     0.28   0.10   0.07    -0.13  -0.02  -0.06
    20   1    -0.01  -0.01   0.00    -0.03  -0.02  -0.03     0.00   0.00   0.00
    21   1     0.00  -0.02   0.00    -0.00   0.05  -0.01    -0.00   0.00   0.00
    22   1     0.01   0.00  -0.01    -0.00   0.00   0.03     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.03  -0.02   0.01    -0.01   0.01  -0.00
    24   1    -0.01   0.00  -0.01    -0.01   0.01   0.01     0.01  -0.00  -0.03
    25   1    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.03  -0.02  -0.01
    26   1     0.02  -0.01   0.02     0.00  -0.00   0.00     0.01  -0.01   0.03
    27   1     0.00   0.02   0.00     0.00   0.00   0.00     0.01   0.05   0.01
    28   6     0.02  -0.03   0.01     0.03  -0.03   0.01    -0.00   0.01  -0.00
    29   7     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    30   1     0.01   0.02   0.03     0.01   0.01   0.03    -0.01  -0.04  -0.01
    31   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
    32   1     0.07   0.33  -0.10     0.01   0.11  -0.01     0.04   0.09  -0.06
    33   1     0.27   0.10   0.21     0.08   0.02   0.06     0.09   0.02   0.06
    34   1    -0.25   0.10  -0.19    -0.31   0.12  -0.23     0.04  -0.03   0.04
    35   1    -0.05   0.32   0.09    -0.09   0.37   0.15     0.02  -0.06  -0.02
    36   1    -0.01   0.04  -0.04     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    37   1     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1639.9358              1656.5006              1656.6707
 Red. masses --      1.0767                 1.0790                 1.0792
 Frc consts  --      1.7061                 1.7444                 1.7451
 IR Inten    --    124.8045                38.2782                17.6612
 RamAct Fr= 1--      0.2300                 4.1252                 7.6319
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0329                 0.5893                 1.0903
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.0789                 2.2353                 5.3974
 Delta2 Fr= 1--      0.0922                 3.3614                 5.7850
 Raman1 Fr= 1--       0.920                 16.501                 30.528
 ROA1   Fr= 1--      10.523                322.148                703.273
 CID1   Fr= 1--      11.436                 19.523                 23.037
 Raman2 Fr= 1--       0.394                  7.072                 13.083
 ROA2   Fr= 1--       1.155                 26.755                 83.259
 CID2   Fr= 1--       2.929                  3.783                  6.364
 Raman3 Fr= 1--       0.789                 14.144                 26.166
 ROA3   Fr= 1--      10.523                322.148                703.273
 CID3   Fr= 1--      13.342                 22.777                 26.877
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.00   0.00   0.01
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     3   7    -0.02   0.01  -0.02     0.01  -0.01   0.01    -0.02   0.02  -0.02
     4  45    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.03  -0.02  -0.03
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     7   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     8   7    -0.00  -0.03  -0.02    -0.00  -0.04  -0.03     0.00   0.01   0.01
     9   7    -0.00   0.02  -0.02     0.00  -0.03   0.02     0.00  -0.02   0.01
    10   7     0.01  -0.01  -0.03     0.01  -0.01  -0.03    -0.00   0.01   0.01
    11   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.01   0.02   0.00    -0.02   0.00   0.02     0.01   0.02  -0.03
    13   1    -0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.00  -0.01
    14   1     0.01  -0.00   0.00     0.01   0.01  -0.02     0.01  -0.02   0.02
    15   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.00
    16   1     0.01   0.00   0.00    -0.01   0.00   0.01     0.01   0.02   0.02
    17   1    -0.01   0.00  -0.00     0.00  -0.01   0.01    -0.02  -0.01  -0.00
    18   1    -0.01  -0.02   0.00     0.01   0.01  -0.01     0.02  -0.01  -0.03
    19   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.00  -0.01
    20   1    -0.06  -0.09   0.29     0.08   0.12  -0.36     0.04   0.06  -0.21
    21   1     0.13  -0.28   0.02    -0.15   0.36  -0.02    -0.09   0.21  -0.01
    22   1     0.08   0.01   0.23    -0.05  -0.00  -0.13     0.13   0.01   0.35
    23   1     0.13  -0.20   0.02    -0.09   0.10  -0.01     0.22  -0.31   0.04
    24   1     0.09  -0.01   0.24    -0.01   0.00  -0.03     0.15  -0.02   0.43
    25   1     0.14   0.20   0.02    -0.01  -0.03  -0.01     0.29   0.37   0.04
    26   1    -0.05   0.10   0.29    -0.08   0.14   0.41     0.01  -0.02  -0.09
    27   1     0.14   0.28   0.02     0.19   0.41   0.03    -0.04  -0.09  -0.01
    28   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    30   1     0.09   0.03   0.29     0.08   0.04   0.26    -0.04  -0.02  -0.11
    31   1    -0.25   0.09   0.15    -0.23   0.08   0.14     0.09  -0.04  -0.06
    32   1     0.00  -0.00  -0.01    -0.01  -0.02   0.02    -0.00   0.00   0.01
    33   1     0.00   0.02   0.01    -0.03   0.01  -0.01    -0.01  -0.00  -0.00
    34   1     0.00  -0.01   0.01     0.03   0.01   0.01     0.01   0.01   0.00
    35   1     0.00   0.00  -0.01     0.01  -0.02  -0.02     0.00  -0.01   0.00
    36   1     0.09  -0.03   0.28    -0.06   0.03  -0.20    -0.07   0.04  -0.24
    37   1    -0.25  -0.08   0.15     0.18   0.05  -0.11     0.21   0.07  -0.12
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1658.5805              1668.9977              1671.3693
 Red. masses --      1.0784                 1.0770                 1.0763
 Frc consts  --      1.7478                 1.7676                 1.7714
 IR Inten    --      0.4562                29.4404                19.4499
 RamAct Fr= 1--      6.4120                 4.0889                 2.9104
  Dep-P Fr= 1--      0.7470                 0.7495                 0.7499
  Dep-U Fr= 1--      0.8552                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9139                 0.5839                 0.4157
 AlphaG Fr= 1--     -0.0079                -0.0003                -0.0000
 Gamma2 Fr= 1--    -13.2728                 4.4932                 3.6252
 Delta2 Fr= 1--     -5.9962                 0.9284                 0.0403
 Raman1 Fr= 1--      25.648                 16.356                 11.642
 ROA1   Fr= 1--   -1466.066                461.059                349.312
 CID1   Fr= 1--     -57.161                 28.190                 30.005
 Raman2 Fr= 1--      10.966                  7.007                  4.989
 ROA2   Fr= 1--    -270.577                100.411                 86.683
 CID2   Fr= 1--     -24.673                 14.330                 17.375
 Raman3 Fr= 1--      21.933                 14.014                  9.978
 ROA3   Fr= 1--   -1466.066                461.059                349.312
 CID3   Fr= 1--     -66.843                 32.900                 35.009
 RC180  Fr= 1--       0.710                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   7    -0.02   0.02  -0.02    -0.02   0.02  -0.03    -0.00   0.00  -0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7     0.02   0.01   0.02     0.02   0.02   0.02    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
     8   7    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00   0.03   0.02
     9   7     0.00  -0.02   0.01    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   7    -0.01   0.01   0.03     0.01  -0.01  -0.03     0.01  -0.01  -0.03
    11   6    -0.01  -0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.01
    12   1    -0.01  -0.00   0.02     0.00  -0.01   0.00     0.01  -0.01  -0.02
    13   1     0.01   0.01   0.01     0.00   0.01   0.01    -0.01   0.00  -0.00
    14   1     0.00   0.02  -0.02    -0.02   0.00  -0.01    -0.01  -0.01   0.02
    15   1     0.00  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1     0.00   0.02   0.03     0.02   0.01   0.01    -0.01   0.01   0.02
    17   1    -0.01  -0.02   0.02    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    18   1     0.01  -0.00  -0.02     0.00  -0.01  -0.01     0.01   0.01  -0.02
    19   1    -0.01   0.01  -0.02    -0.01   0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.03   0.06  -0.23    -0.01  -0.03   0.10     0.06   0.10  -0.34
    21   1    -0.10   0.21  -0.02     0.04  -0.09   0.01    -0.14   0.33  -0.02
    22   1     0.09  -0.00   0.32     0.11  -0.00   0.38     0.00   0.00   0.01
    23   1     0.19  -0.28   0.03     0.23  -0.33   0.04     0.02   0.00  -0.00
    24   1    -0.06  -0.00  -0.26    -0.10  -0.00  -0.36     0.01  -0.00   0.02
    25   1    -0.16  -0.21  -0.03    -0.23  -0.30  -0.04     0.03   0.01   0.00
    26   1    -0.02   0.06   0.22     0.01  -0.04  -0.13     0.05  -0.10  -0.32
    27   1     0.10   0.20   0.01    -0.06  -0.12  -0.01    -0.14  -0.31  -0.02
    28   6     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.01
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.03     0.01   0.01  -0.03
    30   1    -0.10  -0.02  -0.32     0.09   0.04   0.28     0.10   0.03   0.32
    31   1     0.27  -0.09  -0.16    -0.23   0.09   0.14    -0.28   0.10   0.17
    32   1     0.01   0.02  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.01
    33   1     0.02  -0.01   0.00    -0.02   0.01  -0.00     0.01   0.02   0.01
    34   1    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.00  -0.02   0.01
    35   1    -0.01   0.02   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.01
    36   1     0.09  -0.02   0.29    -0.08   0.04  -0.26     0.11  -0.03   0.35
    37   1    -0.25  -0.07   0.15     0.22   0.07  -0.14    -0.30  -0.09   0.18
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3068.8507              3070.7181              3071.1920
 Red. masses --      1.0636                 1.0634                 1.0632
 Frc consts  --      5.9015                 5.9076                 5.9083
 IR Inten    --      5.4920                 5.5694                 5.5354
 RamAct Fr= 1--    226.6275               197.2183               214.3894
  Dep-P Fr= 1--      0.0337                 0.0387                 0.0362
  Dep-U Fr= 1--      0.0651                 0.0744                 0.0698
 Alpha2 Fr= 1--      4.6534                 4.0021                 4.3763
 Beta2  Fr= 1--      2.4607                 2.4463                 2.4935
 AlphaG Fr= 1--     -0.6825                 0.1944                 0.2120
 Gamma2 Fr= 1--     -4.8672                 7.1729                 3.8983
 Delta2 Fr= 1--     -1.6540                 6.2171                 4.1971
 Raman1 Fr= 1--     906.510                788.873                857.557
 ROA1   Fr= 1--    -520.179                887.542                508.541
 CID1   Fr= 1--      -0.574                  1.125                  0.593
 Raman2 Fr= 1--      29.528                 29.356                 29.922
 ROA2   Fr= 1--    -103.580                122.412                 59.981
 CID2   Fr= 1--      -3.508                  4.170                  2.005
 Raman3 Fr= 1--      59.056                 58.712                 59.844
 ROA3   Fr= 1--    -520.179                887.542                508.541
 CID3   Fr= 1--      -8.808                 15.117                  8.498
 RC180  Fr= 1--      -0.870                 -0.851                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.03   0.03
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.01  -0.04
     3   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.04   0.03    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00   0.00    -0.36  -0.03  -0.12     0.00   0.00   0.00
    13   1    -0.01  -0.01   0.01     0.28   0.45  -0.27    -0.00  -0.01   0.00
    14   1     0.00  -0.01  -0.00    -0.13   0.33   0.10     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.01    -0.29  -0.44   0.27     0.01   0.01  -0.01
    16   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.17  -0.36   0.12
    17   1    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.29   0.49   0.29
    18   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.32   0.04  -0.11
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.01     0.23  -0.42  -0.25
    20   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    31   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   1     0.46  -0.00   0.43     0.00   0.00   0.00    -0.02   0.00  -0.01
    33   1     0.04   0.30  -0.24     0.00   0.00  -0.00    -0.00  -0.01   0.01
    34   1    -0.02   0.26   0.21    -0.00   0.01   0.01    -0.00   0.00   0.00
    35   1    -0.42   0.02  -0.39    -0.02   0.00  -0.02    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.6836              3075.9126              3076.3064
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9062                 5.9112                 5.9126
 IR Inten    --      8.4237                 7.5395                 9.6992
 RamAct Fr= 1--     38.5721                35.0947                52.4206
  Dep-P Fr= 1--      0.7356                 0.7480                 0.6970
  Dep-U Fr= 1--      0.8477                 0.8559                 0.8215
 Alpha2 Fr= 1--      0.0095                 0.0012                 0.0485
 Beta2  Fr= 1--      5.4493                 5.0060                 7.1769
 AlphaG Fr= 1--     -0.0016                 0.0005                -0.0060
 Gamma2 Fr= 1--      8.4064                -6.0704                -7.8708
 Delta2 Fr= 1--      5.5713                -4.6220                -5.9084
 Raman1 Fr= 1--     154.288                140.379                209.683
 ROA1   Fr= 1--     985.296               -730.660               -944.667
 CID1   Fr= 1--       6.386                 -5.205                 -4.505
 Raman2 Fr= 1--      65.392                 60.072                 86.123
 ROA2   Fr= 1--     157.184               -108.712               -141.633
 CID2   Fr= 1--       2.404                 -1.810                 -1.645
 Raman3 Fr= 1--     130.784                120.144                172.246
 ROA3   Fr= 1--     985.296               -730.660               -944.667
 CID3   Fr= 1--       7.534                 -6.082                 -5.484
 RC180  Fr= 1--       0.695                  0.712                  0.643
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.02  -0.03  -0.04
     2   6    -0.00   0.00   0.00     0.01   0.00  -0.01     0.03   0.01  -0.03
     3   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04  -0.01  -0.03    -0.01   0.00   0.01
     7   6    -0.00   0.00  -0.00    -0.02   0.03  -0.03     0.00  -0.01   0.01
     8   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.03   0.03   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00     0.48   0.03   0.15    -0.09  -0.01  -0.03
    13   1    -0.01  -0.01   0.01    -0.22  -0.36   0.22     0.04   0.07  -0.04
    14   1     0.00  -0.00  -0.00    -0.19   0.44   0.14     0.03  -0.08  -0.02
    15   1     0.00   0.00  -0.00    -0.24  -0.37   0.23     0.04   0.07  -0.04
    16   1     0.00   0.01  -0.00    -0.03  -0.07   0.02    -0.19  -0.39   0.12
    17   1     0.01  -0.01  -0.01    -0.04   0.06   0.04    -0.19   0.33   0.20
    18   1     0.01  -0.00   0.00     0.09  -0.01   0.03     0.52  -0.05   0.17
    19   1    -0.01   0.01   0.01    -0.04   0.07   0.04    -0.23   0.40   0.24
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    28   6     0.04  -0.04   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.35   0.00  -0.32     0.01  -0.00   0.01    -0.00   0.00  -0.00
    33   1    -0.05  -0.37   0.29     0.00   0.01  -0.00    -0.00   0.00  -0.00
    34   1    -0.03   0.40   0.32     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   1    -0.39   0.01  -0.36     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.5617              3116.3029              3116.5435
 Red. masses --      1.1071                 1.1076                 1.1078
 Frc consts  --      6.3315                 6.3376                 6.3394
 IR Inten    --      8.9964                10.0790                 4.5510
 RamAct Fr= 1--    140.5797               128.1441               146.9152
  Dep-P Fr= 1--      0.4380                 0.5849                 0.2311
  Dep-U Fr= 1--      0.6092                 0.7381                 0.3754
 Alpha2 Fr= 1--      0.9038                 0.3954                 1.8349
 Beta2  Fr= 1--     14.2727                15.7643                 9.1919
 AlphaG Fr= 1--      0.1361                -0.2013                -0.9803
 Gamma2 Fr= 1--    -28.0672                -5.8417                57.7107
 Delta2 Fr= 1--    -20.2369               -20.0068                32.9276
 Raman1 Fr= 1--     562.319                512.576                587.661
 ROA1   Fr= 1--   -3342.032              -1201.020               6593.907
 CID1   Fr= 1--      -5.943                 -2.343                 11.221
 Raman2 Fr= 1--     171.272                189.172                110.302
 ROA2   Fr= 1--    -511.718                 19.854               1121.635
 CID2   Fr= 1--      -2.988                  0.105                 10.169
 Raman3 Fr= 1--     342.544                378.344                220.605
 ROA3   Fr= 1--   -3342.032              -1201.020               6593.907
 CID3   Fr= 1--      -9.757                 -3.174                 29.890
 RC180  Fr= 1--       0.218                  0.476                 -0.249
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.02   0.00    -0.01  -0.06   0.00
     3   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.06   0.00     0.00  -0.02  -0.00
     7   6     0.00   0.00   0.00    -0.06  -0.02  -0.00     0.02   0.01   0.00
     8   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.03  -0.00  -0.01     0.52   0.02   0.18    -0.20  -0.01  -0.07
    13   1    -0.01  -0.02   0.01     0.16   0.26  -0.17    -0.06  -0.10   0.06
    14   1    -0.01   0.03   0.01     0.22  -0.49  -0.17    -0.08   0.19   0.07
    15   1     0.01   0.02  -0.01    -0.17  -0.25   0.16     0.06   0.09  -0.06
    16   1     0.01   0.02  -0.01     0.09   0.19  -0.07     0.25   0.49  -0.17
    17   1    -0.01   0.01   0.01    -0.06   0.10   0.06    -0.16   0.26   0.17
    18   1     0.03  -0.00   0.01     0.19  -0.02   0.07     0.50  -0.04   0.18
    19   1     0.01  -0.01  -0.01     0.06  -0.10  -0.06     0.14  -0.27  -0.16
    20   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    28   6    -0.02  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.27  -0.00  -0.24    -0.01  -0.00  -0.01     0.02   0.00   0.02
    33   1     0.08   0.48  -0.37     0.00   0.02  -0.02    -0.01  -0.03   0.03
    34   1    -0.06   0.47   0.36    -0.00   0.02   0.01     0.00  -0.03  -0.02
    35   1     0.26  -0.02   0.23     0.01  -0.00   0.01    -0.02   0.00  -0.02
    36   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5685              3126.8136              3127.1841
 Red. masses --      1.1102                 1.1101                 1.1101
 Frc consts  --      6.3901                 6.3949                 6.3960
 IR Inten    --      4.5984                 2.6386                 3.6640
 RamAct Fr= 1--     48.4124                53.3963                43.7490
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      6.9157                 7.6279                 6.2499
 AlphaG Fr= 1--      0.0000                 0.0003                -0.0000
 Gamma2 Fr= 1--     28.7157               -33.8508               -27.9038
 Delta2 Fr= 1--      4.9604                -4.7099                -3.7310
 Raman1 Fr= 1--     193.650                213.585                174.996
 ROA1   Fr= 1--    2915.443              -3400.395              -2798.155
 CID1   Fr= 1--      15.055                -15.921                -15.990
 Raman2 Fr= 1--      82.988                 91.535                 74.998
 ROA2   Fr= 1--     649.495               -774.741               -639.843
 CID2   Fr= 1--       7.826                 -8.464                 -8.531
 Raman3 Fr= 1--     165.977                183.071                149.997
 ROA3   Fr= 1--    2915.443              -3400.395              -2798.155
 CID3   Fr= 1--      17.565                -18.574                -18.655
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.06   0.04   0.01
     2   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.07   0.01
     3   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.07   0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00    -0.06  -0.03   0.01    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.03  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.02   0.00   0.01     0.46   0.02   0.16     0.04   0.00   0.01
    13   1     0.01   0.01  -0.01     0.23   0.38  -0.24     0.02   0.03  -0.02
    14   1    -0.01   0.02   0.01    -0.19   0.43   0.15    -0.02   0.04   0.01
    15   1     0.01   0.01  -0.01     0.24   0.36  -0.24     0.02   0.03  -0.02
    16   1    -0.01  -0.01   0.00     0.02   0.03  -0.01    -0.20  -0.41   0.14
    17   1     0.01  -0.01  -0.01    -0.02   0.03   0.02     0.22  -0.36  -0.23
    18   1     0.01  -0.00   0.00    -0.04   0.00  -0.01     0.46  -0.04   0.16
    19   1     0.01  -0.01  -0.01    -0.02   0.04   0.02     0.22  -0.41  -0.25
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    21   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.02   0.01
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.03  -0.03  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.36   0.00   0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    33   1    -0.07  -0.39   0.30     0.00   0.01  -0.01     0.00   0.01  -0.01
    34   1    -0.05   0.40   0.31     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    35   1     0.37  -0.02   0.33    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.7968              3431.9090              3432.9512
 Red. masses --      1.0521                 1.0524                 1.0525
 Frc consts  --      7.2965                 7.3032                 7.3084
 IR Inten    --     57.2342                43.1794                29.0205
 RamAct Fr= 1--      6.5871                34.5539                30.0343
  Dep-P Fr= 1--      0.7063                 0.1956                 0.1010
  Dep-U Fr= 1--      0.8278                 0.3272                 0.1835
 Alpha2 Fr= 1--      0.0050                 0.4747                 0.5245
 Beta2  Fr= 1--      0.9089                 1.8844                 0.9186
 AlphaG Fr= 1--      0.0013                 0.1173                 0.5700
 Gamma2 Fr= 1--      8.9945                 4.1800                 5.6293
 Delta2 Fr= 1--     -0.6939                 2.8274                -2.3039
 Raman1 Fr= 1--      26.349                138.215                120.137
 ROA1   Fr= 1--     841.266                491.762                466.690
 CID1   Fr= 1--      31.928                  3.558                  3.885
 Raman2 Fr= 1--      10.906                 22.613                 11.023
 ROA2   Fr= 1--     221.419                 77.702                153.535
 CID2   Fr= 1--      20.302                  3.436                 13.929
 Raman3 Fr= 1--      21.812                 45.226                 22.045
 ROA3   Fr= 1--     841.266                491.762                466.690
 CID3   Fr= 1--      38.568                 10.873                 21.169
 RC180  Fr= 1--       0.656                 -0.346                 -0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   7     0.00  -0.00   0.01    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.01  -0.01
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7    -0.02  -0.03  -0.03     0.01   0.02   0.02     0.01   0.02   0.01
     9   7    -0.01   0.03  -0.02    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    10   7    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01   0.00   0.03
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    18   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    20   1     0.27  -0.38  -0.10     0.25  -0.35  -0.09     0.13  -0.18  -0.05
    21   1    -0.09   0.02   0.44    -0.08   0.02   0.41    -0.04   0.01   0.21
    22   1    -0.03   0.08   0.01     0.12  -0.27  -0.05    -0.16   0.39   0.07
    23   1    -0.00  -0.02  -0.08     0.01   0.06   0.28    -0.01  -0.08  -0.37
    24   1    -0.03  -0.06   0.01    -0.12  -0.25   0.05     0.05   0.10  -0.02
    25   1    -0.00   0.01  -0.06    -0.01   0.06  -0.26     0.00  -0.02   0.09
    26   1     0.32   0.42  -0.11    -0.23  -0.29   0.08    -0.17  -0.22   0.06
    27   1    -0.10  -0.02   0.49     0.07   0.01  -0.35     0.05   0.01  -0.25
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
    30   1     0.03  -0.00  -0.01    -0.07   0.01   0.02     0.36  -0.06  -0.08
    31   1    -0.02   0.00  -0.03     0.04  -0.01   0.07    -0.23   0.05  -0.37
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   1     0.03   0.00  -0.01     0.08   0.01  -0.02    -0.17  -0.02   0.04
    37   1    -0.02  -0.00  -0.03    -0.05  -0.01  -0.08     0.11   0.02   0.17
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.1145              3433.9272              3434.9751
 Red. masses --      1.0525                 1.0528                 1.0527
 Frc consts  --      7.3087                 7.3146                 7.3180
 IR Inten    --    113.8432                10.1638                 0.2106
 RamAct Fr= 1--      3.5721                18.5019               387.6856
  Dep-P Fr= 1--      0.1591                 0.7167                 0.0098
  Dep-U Fr= 1--      0.2745                 0.8350                 0.0194
 Alpha2 Fr= 1--      0.0540                 0.0106                 8.4199
 Beta2  Fr= 1--      0.1634                 2.5748                 1.2554
 AlphaG Fr= 1--      0.0706                -0.0029                 0.4441
 Gamma2 Fr= 1--      1.5470                -5.7807               -14.7669
 Delta2 Fr= 1--     -0.3939                -0.4314                -1.6764
 Raman1 Fr= 1--      14.289                 74.008               1550.742
 ROA1   Fr= 1--     135.910               -568.753              -1471.270
 CID1   Fr= 1--       9.512                 -7.685                 -0.949
 Raman2 Fr= 1--       1.961                 30.898                 15.065
 ROA2   Fr= 1--      40.280               -135.287               -340.995
 CID2   Fr= 1--      20.542                 -4.379                -22.635
 Raman3 Fr= 1--       3.922                 61.796                 30.131
 ROA3   Fr= 1--     135.910               -568.753              -1471.270
 CID3   Fr= 1--      34.655                 -9.204                -48.830
 RC180  Fr= 1--      -0.451                  0.670                 -0.961
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   7    -0.01   0.01  -0.01     0.01  -0.02   0.02    -0.01   0.02  -0.02
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.02  -0.02  -0.02     0.01   0.02   0.02     0.01   0.02   0.02
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     9   7    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.01
    10   7     0.00  -0.00  -0.01     0.01  -0.00  -0.03    -0.01   0.00   0.03
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.10  -0.14  -0.03    -0.01   0.02   0.00    -0.09   0.13   0.03
    21   1    -0.03   0.01   0.15     0.00  -0.00  -0.02     0.03  -0.01  -0.13
    22   1     0.10  -0.23  -0.04    -0.13   0.30   0.06     0.12  -0.28  -0.05
    23   1     0.01   0.05   0.22    -0.01  -0.06  -0.29     0.01   0.06   0.26
    24   1     0.20   0.42  -0.08    -0.14  -0.30   0.06    -0.15  -0.30   0.06
    25   1     0.01  -0.09   0.41    -0.01   0.07  -0.30    -0.01   0.06  -0.29
    26   1    -0.01  -0.01   0.00    -0.02  -0.02   0.01     0.09   0.12  -0.03
    27   1     0.00   0.00  -0.02     0.01   0.00  -0.02    -0.03  -0.00   0.12
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   7     0.01   0.00  -0.03     0.01   0.00  -0.03     0.01   0.00  -0.03
    30   1    -0.15   0.02   0.04    -0.36   0.06   0.08     0.32  -0.05  -0.07
    31   1     0.10  -0.02   0.15     0.24  -0.05   0.37    -0.21   0.04  -0.32
    32   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.01
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    34   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.01
    36   1    -0.38  -0.04   0.09    -0.32  -0.04   0.07    -0.34  -0.04   0.08
    37   1     0.25   0.04   0.38     0.21   0.03   0.32     0.22   0.03   0.34
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6677              3480.9021              3481.4934
 Red. masses --      1.0931                 1.0930                 1.0929
 Frc consts  --      7.8024                 7.8026                 7.8049
 IR Inten    --      3.8485                27.7264                86.2970
 RamAct Fr= 1--     10.0750                 5.5000                 2.3506
  Dep-P Fr= 1--      0.7496                 0.6877                 0.6845
  Dep-U Fr= 1--      0.8569                 0.8150                 0.8127
 Alpha2 Fr= 1--      0.0001                 0.0060                 0.0027
 Beta2  Fr= 1--      1.4389                 0.7470                 0.3184
 AlphaG Fr= 1--     -0.0003                -0.0258                -0.0051
 Gamma2 Fr= 1--    -12.5501                 2.4985                -2.4010
 Delta2 Fr= 1--      5.6922                 2.0552                -1.2279
 Raman1 Fr= 1--      40.300                 22.000                  9.402
 ROA1   Fr= 1--   -1022.661                305.626               -269.786
 CID1   Fr= 1--     -25.376                 13.892                -28.693
 Raman2 Fr= 1--      17.267                  8.964                  3.821
 ROA2   Fr= 1--    -346.740                 43.523                -47.801
 CID2   Fr= 1--     -20.081                  4.855                -12.511
 Raman3 Fr= 1--      34.533                 17.929                  7.642
 ROA3   Fr= 1--   -1022.661                305.626               -269.786
 CID3   Fr= 1--     -29.614                 17.047                -35.305
 RC180  Fr= 1--       0.714                  0.630                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   7     0.01  -0.03  -0.04     0.00  -0.01  -0.01    -0.01   0.02   0.03
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7     0.01   0.02  -0.02    -0.01  -0.03   0.03    -0.01  -0.02   0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   7    -0.02  -0.02   0.04    -0.02  -0.02   0.03    -0.02  -0.02   0.03
     9   7    -0.01   0.01   0.02     0.03  -0.03  -0.04    -0.01   0.01   0.02
    10   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.00  -0.01
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.01   0.00     0.01   0.01  -0.01     0.00   0.01  -0.00
    16   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.01   0.01   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    20   1     0.12  -0.17  -0.03    -0.29   0.40   0.08     0.11  -0.16  -0.03
    21   1     0.04  -0.00  -0.21    -0.09   0.01   0.52     0.04  -0.00  -0.22
    22   1    -0.16   0.39   0.05    -0.06   0.15   0.02     0.12  -0.28  -0.04
    23   1     0.02   0.08   0.46     0.01   0.03   0.16    -0.02  -0.06  -0.33
    24   1    -0.11  -0.22   0.03     0.14   0.30  -0.04     0.09   0.19  -0.03
    25   1     0.01  -0.05   0.27    -0.01   0.06  -0.35    -0.01   0.04  -0.24
    26   1     0.25   0.32  -0.06     0.17   0.22  -0.04     0.18   0.23  -0.05
    27   1     0.07   0.00  -0.44     0.05   0.00  -0.30     0.06   0.00  -0.33
    28   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    30   1     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.26  -0.04  -0.07
    31   1     0.02  -0.00   0.03    -0.02   0.00  -0.03     0.11  -0.03   0.20
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.01
    36   1     0.04   0.00  -0.01    -0.01  -0.00   0.00     0.38   0.04  -0.11
    37   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.17   0.03   0.29
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.9790              3482.5007              3482.6205
 Red. masses --      1.0926                 1.0926                 1.0926
 Frc consts  --      7.8051                 7.8068                 7.8075
 IR Inten    --      2.4113                33.8471                48.2990
 RamAct Fr= 1--     35.7816                58.4086                42.5938
  Dep-P Fr= 1--      0.6020                 0.7494                 0.7488
  Dep-U Fr= 1--      0.7516                 0.8567                 0.8564
 Alpha2 Fr= 1--      0.0979                 0.0006                 0.0009
 Beta2  Fr= 1--      4.4820                 8.3402                 6.0792
 AlphaG Fr= 1--     -0.0101                -0.0388                -0.0395
 Gamma2 Fr= 1--    -75.4613                53.9587                38.4677
 Delta2 Fr= 1--    -21.0135                 7.5893                 4.7570
 Raman1 Fr= 1--     143.126                233.634                170.375
 ROA1   Fr= 1--   -7916.716               5422.894               3845.118
 CID1   Fr= 1--     -55.313                 23.211                 22.569
 Raman2 Fr= 1--      53.784                100.082                 72.950
 ROA2   Fr= 1--   -1642.963               1234.294                885.168
 CID2   Fr= 1--     -30.548                 12.333                 12.134
 Raman3 Fr= 1--     107.568                200.165                145.901
 ROA3   Fr= 1--   -7916.716               5422.894               3845.118
 CID3   Fr= 1--     -73.598                 27.092                 26.354
 RC180  Fr= 1--       0.503                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7     0.00  -0.01  -0.02     0.01  -0.03  -0.03    -0.00   0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.02   0.03    -0.00  -0.01   0.01     0.01   0.03  -0.03
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   7     0.01   0.01  -0.01     0.02   0.02  -0.03     0.00   0.00  -0.00
     9   7    -0.01   0.01   0.02    -0.00  -0.00   0.00     0.02  -0.02  -0.03
    10   7    -0.05   0.01  -0.02    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    11   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    20   1     0.09  -0.13  -0.03     0.00   0.00   0.00    -0.18   0.26   0.05
    21   1     0.03  -0.00  -0.18     0.00  -0.00  -0.01    -0.06   0.00   0.35
    22   1    -0.07   0.17   0.02    -0.13   0.30   0.04     0.02  -0.05  -0.01
    23   1     0.01   0.04   0.21     0.02   0.06   0.37    -0.00  -0.01  -0.06
    24   1     0.12   0.26  -0.04     0.06   0.12  -0.02    -0.15  -0.31   0.04
    25   1    -0.01   0.05  -0.32    -0.01   0.02  -0.14     0.02  -0.07   0.40
    26   1    -0.07  -0.09   0.02    -0.19  -0.24   0.05    -0.03  -0.04   0.01
    27   1    -0.02  -0.00   0.12    -0.06  -0.00   0.34    -0.01   0.00   0.05
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   7     0.04   0.00   0.01    -0.05  -0.01  -0.02    -0.01  -0.00  -0.00
    30   1     0.47  -0.07  -0.13     0.03  -0.00  -0.01     0.48  -0.07  -0.14
    31   1     0.20  -0.05   0.35     0.01  -0.00   0.02     0.21  -0.05   0.38
    32   1     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
    33   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    35   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    36   1    -0.35  -0.04   0.10     0.50   0.05  -0.14     0.10   0.01  -0.03
    37   1    -0.15  -0.03  -0.26     0.23   0.04   0.39     0.04   0.01   0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  7 and mass  14.00307
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2573.971562610.576283843.64264
           X            1.00000  -0.00052  -0.00033
           Y            0.00052   1.00000   0.00001
           Z            0.00033  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03365     0.03318     0.02253
 Rotational constants (GHZ):           0.70115     0.69132     0.46954
 Zero-point vibrational energy     925981.6 (Joules/Mol)
                                  221.31492 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    121.13   126.52   146.45   207.96   208.88
          (Kelvin)            234.63   309.72   313.44   318.79   359.51
                              417.78   435.00   441.07   474.88   477.00
                              576.66   578.43   581.77   662.68   667.75
                              724.59   768.36   782.28   804.18   979.22
                              987.22  1028.71  1068.34  1072.44  1104.84
                             1246.32  1246.42  1248.31  1250.17  1255.52
                             1257.55  1412.45  1414.40  1415.03  1436.63
                             1439.93  1451.24  1508.14  1509.04  1511.21
                             1599.42  1609.80  1610.51  1684.28  1686.57
                             1711.83  1760.29  1764.39  1790.93  1859.32
                             1859.77  1866.53  1915.67  1918.93  1928.42
                             1938.76  1940.42  1943.00  2020.98  2022.02
                             2024.24  2076.37  2078.80  2079.57  2162.32
                             2163.14  2163.80  2164.18  2164.71  2164.86
                             2359.50  2383.33  2383.58  2386.33  2401.32
                             2404.73  4415.39  4418.08  4418.76  4423.78
                             4425.55  4426.12  4482.60  4483.66  4484.01
                             4497.00  4498.79  4499.32  4936.15  4937.75
                             4939.25  4939.49  4940.66  4942.16  5007.90
                             5008.24  5009.09  5009.79  5010.54  5010.71
 
 Zero-point correction=                           0.352688 (Hartree/Particle)
 Thermal correction to Energy=                    0.367694
 Thermal correction to Enthalpy=                  0.368638
 Thermal correction to Gibbs Free Energy=         0.312213
 Sum of electronic and zero-point Energies=           -681.282782
 Sum of electronic and thermal Energies=              -681.267775
 Sum of electronic and thermal Enthalpies=            -681.266831
 Sum of electronic and thermal Free Energies=         -681.323256
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.732             60.537            118.757
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.624
 Vibrational            228.954             54.575             44.313
 Vibration     1          0.601              1.960              3.791
 Vibration     2          0.601              1.958              3.706
 Vibration     3          0.604              1.948              3.420
 Vibration     4          0.616              1.909              2.743
 Vibration     5          0.617              1.908              2.734
 Vibration     6          0.623              1.888              2.514
 Vibration     7          0.645              1.818              1.999
 Vibration     8          0.646              1.814              1.977
 Vibration     9          0.648              1.808              1.946
 Vibration    10          0.663              1.763              1.731
 Vibration    11          0.686              1.692              1.472
 Vibration    12          0.694              1.669              1.404
 Vibration    13          0.697              1.661              1.381
 Vibration    14          0.713              1.615              1.260
 Vibration    15          0.714              1.613              1.253
 Vibration    16          0.767              1.468              0.960
 Vibration    17          0.768              1.466              0.955
 Vibration    18          0.770              1.461              0.947
 Vibration    19          0.818              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.859              1.242              0.649
 Vibration    22          0.889              1.175              0.578
 Vibration    23          0.899              1.153              0.557
 Vibration    24          0.915              1.120              0.526
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.246609-143       -143.607991       -330.669620
 Total V=0       0.413979D+19         18.616978         42.867176
 Vib (Bot)       0.723990-158       -158.140268       -364.131423
 Vib (Bot)    1  0.244454D+01          0.388197          0.893857
 Vib (Bot)    2  0.233900D+01          0.369030          0.849723
 Vib (Bot)    3  0.201551D+01          0.304384          0.700871
 Vib (Bot)    4  0.140501D+01          0.147681          0.340047
 Vib (Bot)    5  0.139859D+01          0.145690          0.335465
 Vib (Bot)    6  0.123851D+01          0.092899          0.213909
 Vib (Bot)    7  0.920700D+00         -0.035882         -0.082621
 Vib (Bot)    8  0.908802D+00         -0.041531         -0.095628
 Vib (Bot)    9  0.892156D+00         -0.049559         -0.114114
 Vib (Bot)   10  0.781136D+00         -0.107274         -0.247006
 Vib (Bot)   11  0.658450D+00         -0.181477         -0.417866
 Vib (Bot)   12  0.628179D+00         -0.201916         -0.464930
 Vib (Bot)   13  0.618056D+00         -0.208972         -0.481176
 Vib (Bot)   14  0.566075D+00         -0.247126         -0.569028
 Vib (Bot)   15  0.563059D+00         -0.249446         -0.574371
 Vib (Bot)   16  0.444447D+00         -0.352180         -0.810925
 Vib (Bot)   17  0.442681D+00         -0.353909         -0.814906
 Vib (Bot)   18  0.439390D+00         -0.357150         -0.822369
 Vib (Bot)   19  0.369108D+00         -0.432847         -0.996667
 Vib (Bot)   20  0.365231D+00         -0.437432         -1.007225
 Vib (Bot)   21  0.325296D+00         -0.487721         -1.123019
 Vib (Bot)   22  0.298346D+00         -0.525279         -1.209500
 Vib (Bot)   23  0.290369D+00         -0.537050         -1.236604
 Vib (Bot)   24  0.278359D+00         -0.555395         -1.278844
 Vib (V=0)       0.121535D+05          4.084702          9.405373
 Vib (V=0)    1  0.299515D+01          0.476419          1.096994
 Vib (V=0)    2  0.289184D+01          0.461175          1.061894
 Vib (V=0)    3  0.257660D+01          0.411047          0.946471
 Vib (V=0)    4  0.199133D+01          0.299143          0.688803
 Vib (V=0)    5  0.198528D+01          0.297822          0.685760
 Vib (V=0)    6  0.183563D+01          0.263785          0.607387
 Vib (V=0)    7  0.154771D+01          0.189689          0.436774
 Vib (V=0)    8  0.153727D+01          0.186749          0.430005
 Vib (V=0)    9  0.152271D+01          0.182618          0.420494
 Vib (V=0)   10  0.142746D+01          0.154562          0.355893
 Vib (V=0)   11  0.132677D+01          0.122797          0.282751
 Vib (V=0)   12  0.130288D+01          0.114903          0.264574
 Vib (V=0)   13  0.129498D+01          0.112263          0.258495
 Vib (V=0)   14  0.125528D+01          0.098739          0.227355
 Vib (V=0)   15  0.125302D+01          0.097957          0.225555
 Vib (V=0)   16  0.116898D+01          0.067807          0.156131
 Vib (V=0)   17  0.116781D+01          0.067371          0.155128
 Vib (V=0)   18  0.116563D+01          0.066561          0.153262
 Vib (V=0)   19  0.112148D+01          0.049792          0.114651
 Vib (V=0)   20  0.111919D+01          0.048903          0.112603
 Vib (V=0)   21  0.109650D+01          0.040010          0.092127
 Vib (V=0)   22  0.108225D+01          0.034326          0.079039
 Vib (V=0)   23  0.107820D+01          0.032699          0.075292
 Vib (V=0)   24  0.107226D+01          0.030301          0.069770
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181923D+07          6.259887         14.413923
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006088    0.000012393   -0.000029127
      2        6          -0.000010412    0.000020222   -0.000034694
      3        7           0.000015876    0.000014806   -0.000008825
      4       45          -0.000147600    0.000110840    0.000102558
      5        7           0.000059605   -0.000019709   -0.000018586
      6        6           0.000014122   -0.000007460    0.000008579
      7        6           0.000002758    0.000001907   -0.000008789
      8        7           0.000029479   -0.000028418   -0.000008724
      9        7          -0.000000888   -0.000028104   -0.000013477
     10        7           0.000010204   -0.000014395    0.000052549
     11        6          -0.000007777   -0.000026181   -0.000004356
     12        1           0.000001921    0.000000267   -0.000006840
     13        1           0.000000492   -0.000007520    0.000003449
     14        1          -0.000002219    0.000001846   -0.000003140
     15        1          -0.000004731    0.000006858    0.000010442
     16        1           0.000002366   -0.000000071    0.000004905
     17        1          -0.000008382    0.000001925    0.000022934
     18        1          -0.000001403   -0.000000853    0.000006386
     19        1          -0.000012893    0.000022904    0.000006771
     20        1           0.000034521    0.000012632    0.000013881
     21        1           0.000013770   -0.000002426    0.000003623
     22        1           0.000008119    0.000021941   -0.000013458
     23        1          -0.000012768   -0.000006964   -0.000017925
     24        1           0.000008942   -0.000011910   -0.000009158
     25        1          -0.000000027   -0.000006176   -0.000006194
     26        1           0.000070267   -0.000031160    0.000022512
     27        1           0.000016582    0.000000349    0.000004700
     28        6           0.000000779   -0.000008409   -0.000004398
     29        7          -0.000017702    0.000033792   -0.000003405
     30        1          -0.000007599   -0.000007372   -0.000002012
     31        1          -0.000018064   -0.000004230   -0.000029566
     32        1          -0.000016680   -0.000003441   -0.000034098
     33        1          -0.000002897   -0.000000294   -0.000001814
     34        1           0.000001088   -0.000001170    0.000000741
     35        1          -0.000004516   -0.000015381    0.000006992
     36        1          -0.000001203   -0.000031990   -0.000012591
     37        1          -0.000007043    0.000000951    0.000000152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000147600 RMS     0.000026321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153351D+03 -0.459435D-02 -0.466385D-01
      2  -0.459435D-02  0.152190D+03 -0.151776D-02
      3  -0.466385D-01 -0.151776D-02  0.124102D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.123820D+01  0.107079D+00  0.190326D+01
      2   0.622688D-01  0.299769D+01 -0.278950D-01
      3   0.254151D+01 -0.124293D+00 -0.498942D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.626280D+01 -0.969860D+02 -0.216219D+00
      2   0.638891D+01  0.103326D+03  0.198537D+00
      3  -0.126103D+00 -0.633997D+01  0.176821D-01
      4  -0.940439D+02  0.646307D+01 -0.493512D+01
      5  -0.185239D+00  0.169383D+01 -0.225551D+00
      6  -0.100062D+02  0.164239D+00 -0.961225D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.763355D+01  0.669950D+00  0.388573D+01 -0.123307D+01 -0.301928D+01
      2   0.669950D+00 -0.258678D+01  0.167132D-01 -0.301928D+01  0.502201D+00
      3   0.388573D+01  0.167132D-01  0.450541D+00 -0.760941D+00  0.217102D+01
                 6             7             8             9            10 
      1  -0.760941D+00  0.325117D+01 -0.224135D+00  0.622397D+00 -0.158430D+01
      2   0.217102D+01 -0.224135D+00  0.165570D+01  0.114560D+01  0.663848D+00
      3   0.968421D+00  0.622397D+00  0.114560D+01 -0.704480D+00 -0.236271D+01
                11            12            13            14            15 
      1   0.663848D+00 -0.236271D+01  0.208297D+01  0.528357D+01 -0.854534D+00
      2   0.395351D+01 -0.617420D-01  0.528357D+01  0.265696D+01 -0.347292D+01
      3  -0.617420D-01  0.824064D+00 -0.854534D+00 -0.347292D+01 -0.304555D+00
                16            17            18            19            20 
      1  -0.192441D+01 -0.494141D+00  0.112516D+01 -0.184588D+01 -0.350199D+01
      2  -0.494141D+00 -0.278082D+01 -0.203153D+00 -0.350199D+01 -0.578379D+01
      3   0.112516D+01 -0.203153D+00  0.783999D+00  0.319199D+01  0.222464D+01
                21            22            23            24            25 
      1   0.319199D+01 -0.160945D+01 -0.386089D+01  0.117745D+01  0.184603D+01
      2   0.222464D+01 -0.386089D+01 -0.245590D+01  0.252248D+01  0.108468D+01
      3  -0.118898D+01  0.117745D+01  0.252248D+01 -0.148669D+01 -0.997435D+00
                26            27            28            29            30 
      1   0.108468D+01 -0.997435D+00  0.174839D+00  0.158779D+01  0.126070D-01
      2   0.272308D+01 -0.169104D+01  0.158779D+01 -0.111114D+00 -0.159022D+01
      3  -0.169104D+01 -0.168257D+01  0.126070D-01 -0.159022D+01  0.299653D-01
                31            32            33            34            35 
      1   0.151953D+01 -0.110666D+00  0.188617D+01  0.299876D-01 -0.305707D-01
      2  -0.110666D+00 -0.196426D+01  0.125205D-01 -0.305707D-01  0.113388D-01
      3   0.188617D+01  0.125205D-01  0.185021D+00  0.336027D-01  0.106852D+00
                36            37            38            39            40 
      1   0.336027D-01  0.149064D+01 -0.315134D+01 -0.303803D+01 -0.133432D+01
      2   0.106852D+00 -0.315134D+01  0.597098D+01  0.224829D+01  0.396267D+01
      3   0.949008D-02 -0.303803D+01  0.224829D+01  0.112481D+01  0.119798D+01
                41            42            43            44            45 
      1   0.396267D+01  0.119798D+01 -0.175773D+01  0.103834D+01  0.916153D+00
      2  -0.309908D+01 -0.268956D+01  0.103834D+01 -0.283347D+01 -0.173005D+01
      3  -0.268956D+01 -0.153732D+01  0.916153D+00 -0.173005D+01  0.168305D+01
                46            47            48            49            50 
      1   0.173245D+01  0.187078D+00  0.232053D+01  0.153529D+01 -0.523431D+01
      2   0.187078D+00 -0.387794D+01 -0.684417D-02 -0.523431D+01  0.328610D+01
      3   0.232053D+01 -0.684417D-02 -0.841154D+00 -0.795544D+00  0.350925D+01
                51            52            53            54            55 
      1  -0.795544D+00  0.185899D+01 -0.448909D+00 -0.112725D+01 -0.758360D+01
      2   0.350925D+01 -0.448909D+00  0.283325D+01 -0.165301D+00  0.122826D+01
      3  -0.277428D+00 -0.112725D+01 -0.165301D+00 -0.793778D+00 -0.390481D+01
                56            57            58            59            60 
      1   0.122826D+01 -0.390481D+01 -0.624493D+00  0.301733D+01 -0.683358D+00
      2   0.252590D+01  0.831554D-01  0.301733D+01  0.147193D+00 -0.214183D+01
      3   0.831554D-01 -0.397964D+00 -0.683358D+00 -0.214183D+01  0.991503D+00
                61            62            63            64            65 
      1  -0.324659D+01 -0.160760D+00 -0.563395D+00  0.873816D+01 -0.125167D+01
      2  -0.160760D+00 -0.163183D+01  0.117403D+01 -0.125167D+01 -0.151209D+01
      3  -0.563395D+00  0.117403D+01  0.709317D+00  0.446872D+01 -0.543684D+00
                66            67            68            69            70 
      1   0.446872D+01 -0.394247D+01 -0.751168D+00 -0.169139D+01  0.361475D+01
      2  -0.543684D+00 -0.751168D+00 -0.331929D+00  0.162626D+01  0.115759D-01
      3   0.210994D+01 -0.169139D+01  0.162626D+01 -0.562490D+00  0.208225D+01
                71            72            73            74            75 
      1   0.115759D-01  0.208225D+01 -0.905750D+01 -0.783830D+00 -0.458625D+01
      2   0.112522D+01 -0.185842D+00 -0.783830D+00  0.155870D+01 -0.420406D+00
      3  -0.185842D+00 -0.163669D+01 -0.458625D+01 -0.420406D+00 -0.215125D+01
                76            77            78            79            80 
      1  -0.346034D+01  0.944411D+00 -0.155027D+01 -0.365828D+01  0.113457D+00
      2   0.944411D+00 -0.441789D+00 -0.153278D+01  0.113457D+00 -0.113948D+01
      3  -0.155027D+01 -0.153278D+01 -0.458057D+00 -0.211222D+01 -0.925777D-01
                81            82            83            84            85 
      1  -0.211222D+01 -0.527041D+00  0.154691D+01  0.923998D+00  0.234539D+01
      2  -0.925777D-01  0.154691D+01  0.158753D+01 -0.107051D+01  0.400863D+01
      3   0.161957D+01  0.923998D+00 -0.107051D+01  0.130272D+01 -0.170186D+01
                86            87            88            89            90 
      1   0.400863D+01 -0.170186D+01  0.345266D+00 -0.100085D+01  0.206024D+01
      2   0.734713D+01 -0.481800D+01 -0.100085D+01 -0.300993D+01  0.844814D+00
      3  -0.481800D+01  0.105650D+01  0.206024D+01  0.844814D+00  0.619158D+00
                91            92            93            94            95 
      1  -0.107433D+01 -0.416083D+00 -0.238179D+01 -0.690347D+00 -0.187134D+01
      2  -0.416083D+00 -0.641078D+00  0.526769D+00 -0.187134D+01 -0.357839D+01
      3  -0.238179D+01  0.526769D+00 -0.151565D+01  0.498714D+00  0.445136D+01
                96            97            98            99           100 
      1   0.498714D+00 -0.294220D+01  0.115838D+01 -0.203643D+01  0.107020D+02
      2   0.445136D+01  0.115838D+01  0.619769D+01 -0.180831D+01 -0.207458D+01
      3  -0.839748D+00 -0.203643D+01 -0.180831D+01  0.194098D+00  0.316139D+01
               101           102           103           104           105 
      1  -0.207458D+01  0.316139D+01  0.180203D+00  0.977541D+00  0.316703D+00
      2   0.138096D+01 -0.517155D+00  0.977541D+00 -0.773352D+00  0.675472D+00
      3  -0.517155D+00  0.213293D+01  0.316703D+00  0.675472D+00 -0.190704D+00
               106           107           108           109           110 
      1   0.298004D+01 -0.550189D+00  0.242010D+01 -0.486515D+00 -0.784727D+00
      2  -0.550189D+00  0.625342D+00 -0.728063D+00 -0.784727D+00 -0.144285D+01
      3   0.242010D+01 -0.728063D+00  0.157128D+01  0.977779D+00  0.533817D+00
               111           112           113           114           115 
      1   0.977779D+00 -0.101555D+01 -0.213680D+00  0.104425D+00  0.121906D+01
      2   0.533817D+00 -0.213680D+00 -0.437170D+01  0.209506D+01 -0.209565D+00
      3  -0.874135D+00  0.104425D+00  0.209506D+01 -0.215045D+01  0.105468D-01
               116           117           118           119           120 
      1  -0.209565D+00  0.105468D-01  0.352851D+01 -0.245631D+01 -0.117212D+01
      2   0.193060D+01 -0.174622D+01 -0.245631D+01  0.260273D+01  0.583347D+00
      3  -0.174622D+01  0.220551D+01 -0.117212D+01  0.583347D+00  0.106473D+01
               121           122           123           124           125 
      1  -0.387536D+01  0.444718D+01  0.136683D+01 -0.142572D+01  0.115811D+01
      2   0.444718D+01 -0.684640D+01 -0.239393D+01  0.115811D+01 -0.189635D+01
      3   0.136683D+01 -0.239393D+01 -0.168762D+01  0.162898D+01 -0.170911D+01
               126           127           128           129           130 
      1   0.162898D+01  0.308311D+01  0.971067D+00 -0.162133D+01  0.216691D+01
      2  -0.170911D+01  0.971067D+00  0.111555D+01 -0.449839D+00  0.137180D+01
      3  -0.135673D+01 -0.162133D+01 -0.449839D+00  0.153983D+01 -0.827474D+00
               131           132           133           134           135 
      1   0.137180D+01 -0.827474D+00 -0.197179D+01 -0.162215D+00  0.153024D+01
      2   0.202886D+01 -0.137618D+01 -0.162215D+00 -0.117258D+01  0.762948D+00
      3  -0.137618D+01  0.168246D+01  0.153024D+01  0.762948D+00 -0.208845D+01
               136           137           138           139           140 
      1  -0.393292D+01 -0.260086D+01  0.125926D+01 -0.409343D+01 -0.444711D+01
      2  -0.260086D+01 -0.266310D+01  0.634928D+00 -0.444711D+01 -0.634129D+01
      3   0.125926D+01  0.634928D+00 -0.113872D+01  0.141777D+01  0.230679D+01
               141           142           143           144           145 
      1   0.141777D+01  0.153613D+01  0.118139D+01 -0.170650D+01 -0.289900D+01
      2   0.230679D+01  0.118139D+01  0.179750D+01 -0.164054D+01  0.100586D+01
      3  -0.164051D+01 -0.170650D+01 -0.164054D+01  0.136357D+01  0.156760D+01
               146           147           148           149           150 
      1   0.100586D+01  0.156760D+01  0.220386D+01 -0.141850D+01 -0.835756D+00
      2  -0.111615D+01 -0.458379D+00 -0.141850D+01  0.213393D+01  0.142828D+01
      3  -0.458379D+00 -0.146108D+01 -0.835756D+00  0.142828D+01  0.174206D+01
               151           152           153           154           155 
      1   0.197377D+01 -0.189686D+00 -0.149397D+01 -0.108397D+02 -0.170996D+01
      2  -0.189686D+00  0.119060D+01  0.828424D+00 -0.170996D+01 -0.124754D+01
      3  -0.149397D+01  0.828424D+00  0.209037D+01 -0.316582D+01 -0.411548D+00
               156           157           158           159           160 
      1  -0.316582D+01  0.582028D+00 -0.934276D+00  0.427966D+00 -0.303501D+01
      2  -0.411548D+00 -0.934276D+00 -0.623506D+00 -0.671238D+00 -0.452084D+00
      3  -0.214011D+01  0.427966D+00 -0.671238D+00 -0.953525D-01 -0.245362D+01
               161           162           163           164           165 
      1  -0.452084D+00 -0.245362D+01  0.380267D+00 -0.737714D+00 -0.951826D+00
      2  -0.585774D+00 -0.624263D+00 -0.737714D+00  0.131772D+01  0.482470D+00
      3  -0.624263D+00 -0.157557D+01 -0.951826D+00  0.482470D+00  0.776763D+00
               166           167           168           169           170 
      1  -0.102727D+01  0.103056D+00  0.569146D-01 -0.124033D+01 -0.236970D+00
      2   0.103056D+00 -0.444929D+01 -0.211984D+01 -0.236970D+00 -0.191165D+01
      3   0.569146D-01 -0.211984D+01 -0.218355D+01 -0.851338D-01 -0.174350D+01
               171           172           173           174           175 
      1  -0.851338D-01 -0.229861D+01  0.168981D+01  0.122920D+00  0.353164D+01
      2  -0.174350D+01  0.168981D+01 -0.234129D+01  0.377233D+00 -0.141555D+01
      3  -0.220470D+01  0.122920D+00  0.377233D+00 -0.424840D+00  0.137457D+01
               176           177           178           179           180 
      1  -0.141555D+01  0.137457D+01  0.173646D+01  0.449600D+00  0.294029D+00
      2   0.326826D+01 -0.221470D+00  0.449600D+00  0.108429D+00  0.663357D+00
      3  -0.221470D+00  0.117556D+01  0.294029D+00  0.663357D+00 -0.181862D+00
               181           182           183           184           185 
      1   0.154171D+01  0.372545D+00  0.256746D+00 -0.865783D-01 -0.651090D+00
      2   0.372545D+00 -0.568599D+00  0.444675D-01 -0.651090D+00  0.109817D+00
      3   0.256746D+00  0.444675D-01  0.763583D+00  0.245518D-01 -0.778638D+00
               186           187           188           189           190 
      1   0.245518D-01 -0.187570D+01 -0.222657D+00 -0.130871D+01  0.149409D+01
      2  -0.778638D+00 -0.222657D+00 -0.105984D+01  0.655396D+00  0.194281D-02
      3   0.126072D+00 -0.130871D+01  0.655396D+00 -0.710532D+01 -0.662642D+00
               191           192           193           194           195 
      1   0.194281D-02 -0.662642D+00 -0.179946D+01  0.874776D+00 -0.694636D-01
      2   0.215249D+01 -0.104987D+01  0.874776D+00 -0.587282D+01  0.885327D+00
      3  -0.104987D+01  0.732524D+00 -0.694636D-01  0.885327D+00 -0.105054D+01
               196           197           198           199           200 
      1  -0.953486D+00 -0.935916D+00  0.669160D+00 -0.325789D+00  0.272066D+00
      2  -0.935916D+00 -0.793278D+00 -0.169764D+00  0.272066D+00  0.743760D+00
      3   0.669160D+00 -0.169764D+00  0.267879D+00  0.445436D+00 -0.391408D+00
               201           202           203           204           205 
      1   0.445436D+00  0.629863D+00  0.114983D+01 -0.487842D+00  0.144976D+01
      2  -0.391408D+00  0.114983D+01  0.261902D+00  0.901488D-01  0.483871D+00
      3   0.307413D+00 -0.487842D+00  0.901488D-01  0.633072D+00 -0.293048D+00
               206           207           208           209           210 
      1   0.483871D+00 -0.293048D+00 -0.158591D+01 -0.772943D-01  0.609989D+00
      2   0.140777D+01 -0.135610D+01 -0.772943D-01 -0.240623D+01 -0.111389D+01
      3  -0.135610D+01  0.698980D+01  0.609989D+00 -0.111389D+01 -0.777282D+00
               211           212           213           214           215 
      1  -0.181596D+01 -0.105050D+01 -0.133298D+00  0.874210D+00 -0.933515D+00
      2  -0.105050D+01 -0.568620D+01 -0.824873D+00 -0.933515D+00  0.882793D+00
      3  -0.133298D+00 -0.824873D+00 -0.101519D+01 -0.673953D+00 -0.140864D+00
               216           217           218           219           220 
      1  -0.673953D+00  0.370014D+00  0.173558D+00 -0.483188D+00  0.508536D+00
      2  -0.140864D+00  0.173558D+00 -0.751205D+00 -0.374368D+00 -0.116852D+01
      3  -0.263631D+00 -0.483188D+00 -0.374368D+00 -0.282316D+00 -0.469004D+00
               221           222           223           224           225 
      1  -0.116852D+01 -0.469004D+00 -0.140822D+01  0.485917D+00  0.229876D+00
      2   0.390351D+00 -0.543634D-01  0.485917D+00 -0.145482D+01 -0.137737D+01
      3  -0.543634D-01  0.636138D+00  0.229876D+00 -0.137737D+01 -0.698807D+01
               226           227           228           229           230 
      1   0.259115D+01  0.174523D+01 -0.505037D-01  0.355246D+01  0.128255D+01
      2   0.174523D+01  0.231252D+01  0.392275D+00  0.128255D+01  0.317994D+01
      3  -0.505037D-01  0.392275D+00  0.471421D+00  0.140502D+01  0.985881D-01
               231           232           233           234           235 
      1   0.140502D+01 -0.169600D+01  0.530731D+00 -0.269667D+00 -0.149864D+01
      2   0.985881D-01  0.530731D+00 -0.175920D+00  0.685183D+00  0.487805D+00
      3   0.117780D+01 -0.269667D+00  0.685183D+00  0.178275D+00 -0.249378D+00
               236           237           238           239           240 
      1   0.487805D+00 -0.249378D+00  0.329090D-01  0.636839D+00  0.670297D-01
      2   0.536579D+00  0.877680D-01  0.636839D+00  0.286883D-01  0.773835D+00
      3   0.877680D-01 -0.756453D+00  0.670297D-01  0.773835D+00  0.158026D+00
               241           242           243           244           245 
      1   0.185322D+01 -0.257315D+00  0.133544D+01  0.101407D+01 -0.357479D+00
      2  -0.257315D+00  0.108014D+01  0.597252D+00 -0.357479D+00  0.505937D+00
      3   0.133544D+01  0.597252D+00  0.710170D+01  0.241269D+01  0.213446D+00
               246           247           248           249           250 
      1   0.241269D+01 -0.568475D+00  0.177076D+01  0.204600D+00  0.302506D+01
      2   0.213446D+00  0.177076D+01 -0.373118D+01 -0.447817D+01  0.749926D+00
      3   0.147416D+01  0.204600D+00 -0.447817D+01 -0.898470D+00  0.195296D+01
               251           252           253           254           255 
      1   0.749926D+00  0.195296D+01  0.731061D+00  0.127930D+01 -0.103206D+01
      2  -0.630008D+01 -0.189969D+01  0.127930D+01 -0.142928D+01 -0.825195D+00
      3  -0.189969D+01 -0.196754D+00 -0.103206D+01 -0.825195D+00 -0.126519D+01
               256           257           258           259           260 
      1   0.199463D+01 -0.383666D+01 -0.144555D+01 -0.407201D+00 -0.858824D+00
      2  -0.383666D+01  0.776225D+01  0.494194D+01 -0.858824D+00  0.310898D+01
      3  -0.144555D+01  0.494194D+01  0.111890D+01 -0.203345D+01  0.939790D+00
               261           262           263           264           265 
      1  -0.203345D+01  0.535774D+01  0.621412D+00 -0.251830D+01 -0.474936D-01
      2   0.939790D+00  0.621412D+00  0.243684D+01 -0.550707D+00  0.158816D+00
      3  -0.609052D+00 -0.251830D+01 -0.550707D+00  0.198242D+01  0.448343D+00
               266           267           268           269           270 
      1   0.158816D+00  0.448343D+00 -0.163704D+01  0.237176D+00  0.113842D+01
      2  -0.121266D+01  0.682411D+00  0.237176D+00  0.455626D+00 -0.316566D-01
      3   0.682411D+00 -0.408007D+00  0.113842D+01 -0.316566D-01 -0.175329D+01
               271           272           273           274           275 
      1  -0.503404D+00 -0.569764D+00 -0.702116D+00  0.903268D-01 -0.911415D+00
      2  -0.569764D+00 -0.236359D+01  0.109605D+01 -0.911415D+00 -0.225571D+00
      3  -0.702116D+00  0.109605D+01 -0.203362D+01  0.442511D+00 -0.142202D+00
               276           277           278           279           280 
      1   0.442511D+00 -0.105003D+01 -0.637757D-01 -0.534569D+00  0.415773D+01
      2  -0.142202D+00 -0.637757D-01 -0.151683D+01  0.122334D+01  0.117188D+01
      3   0.468879D+00 -0.534569D+00  0.122334D+01 -0.558242D+01  0.163501D+01
               281           282           283           284           285 
      1   0.117188D+01  0.163501D+01  0.496463D+00  0.119753D+01  0.106425D+00
      2   0.209438D+01  0.401163D+00  0.119753D+01  0.850343D+00  0.311050D+00
      3   0.401163D+00  0.148430D+01  0.106425D+00  0.311050D+00  0.264474D+00
               286           287           288           289           290 
      1   0.262167D+01  0.487857D+00  0.174724D+01  0.969606D+00  0.168752D+01
      2   0.487857D+00  0.914012D+00  0.922343D+00  0.168752D+01  0.117729D+01
      3   0.174724D+01  0.922343D+00  0.217162D+01 -0.393927D+00 -0.539027D+00
               291           292           293           294           295 
      1  -0.393927D+00  0.151599D+01  0.170499D+01 -0.614046D+00 -0.460146D+00
      2  -0.539027D+00  0.170499D+01  0.908962D+01 -0.296439D+01 -0.130448D+01
      3   0.484402D+00 -0.614046D+00 -0.296439D+01  0.199463D+01  0.994982D+00
               296           297           298           299           300 
      1  -0.130448D+01  0.994982D+00 -0.757337D+00  0.161056D+01  0.349498D+00
      2  -0.508523D+01  0.311102D+01  0.161056D+01 -0.914063D+00 -0.420597D+00
      3   0.311102D+01 -0.254218D+01  0.349498D+00 -0.420597D+00 -0.393194D+00
               301           302           303           304           305 
      1   0.141331D+01 -0.143720D+01 -0.498274D+00  0.356353D+00 -0.109323D+01
      2  -0.143720D+01  0.926956D+01  0.300871D+01 -0.109323D+01  0.519732D+01
      3  -0.498274D+00  0.300871D+01  0.201322D+01 -0.855359D+00  0.315293D+01
               306           307           308           309           310 
      1  -0.855359D+00 -0.402520D+01  0.121894D+01 -0.160474D+01  0.576721D+00
      2   0.315293D+01  0.121894D+01 -0.211091D+01  0.473635D+00 -0.121105D+01
      3   0.254211D+01 -0.160474D+01  0.473635D+00 -0.146502D+01  0.172914D+00
               311           312           313           314           315 
      1  -0.121105D+01  0.172914D+00 -0.257138D+01  0.576608D+00 -0.169726D+01
      2   0.112100D+01 -0.311928D+00  0.576608D+00 -0.916365D+00  0.101373D+01
      3  -0.311928D+00  0.336886D+00 -0.169726D+01  0.101373D+01 -0.216518D+01
               316           317           318           319           320 
      1  -0.533289D+01  0.722981D+00  0.251000D+01  0.114102D+00 -0.265713D+00
      2   0.722981D+00 -0.250525D+01 -0.692190D+00 -0.265713D+00 -0.101323D+01
      3   0.251000D+01 -0.692190D+00 -0.200251D+01  0.307708D+00 -0.671397D+00
               321           322           323           324           325 
      1   0.307708D+00  0.164670D+01  0.126120D+00 -0.113982D+01  0.467828D+00
      2  -0.671397D+00  0.126120D+00 -0.495909D+00  0.191865D-01 -0.442728D+00
      3  -0.320861D+00 -0.113982D+01  0.191865D-01  0.175388D+01  0.769656D+00
               326           327           328           329           330 
      1  -0.442728D+00  0.769656D+00  0.150934D+00  0.916640D+00  0.414019D+00
      2   0.239944D+01  0.106742D+01  0.916640D+00 -0.415550D+00  0.732044D-01
      3   0.106742D+01  0.205296D+01  0.414019D+00  0.732044D-01  0.377914D+00
               331           332           333 
      1   0.104264D+01 -0.439556D-01  0.590025D+00
      2  -0.439556D-01  0.151472D+01  0.119722D+01
      3   0.590025D+00  0.119722D+01  0.557606D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753417D+00  0.246864D+01 -0.261833D+01  0.396326D+01  0.607731D+01
      2   0.888186D+00 -0.965948D+00  0.911199D+01 -0.183647D+01 -0.122207D+02
      3  -0.444537D+01 -0.104697D+02 -0.183049D+01 -0.731120D+01  0.407636D+01
                 6             7             8             9            10 
      1  -0.225759D+01 -0.717644D+00 -0.501449D+00 -0.165497D+01 -0.466087D+01
      2  -0.353813D+01  0.274053D+01  0.405158D+00  0.142531D+01  0.113898D+02
      3   0.845849D+01 -0.914203D+00  0.956558D+01  0.371925D+01  0.576366D+01
                11            12            13            14            15 
      1   0.400546D+01  0.609985D-01  0.392716D+01 -0.108146D+01 -0.737471D+01
      2  -0.264179D+01  0.389574D+01 -0.442714D+01  0.295188D+00  0.580578D+01
      3   0.716836D+01  0.682822D+01  0.988193D+01 -0.523268D+01 -0.586335D+01
                16            17            18            19            20 
      1  -0.114694D+01 -0.148746D+01  0.160604D+00  0.378883D-01 -0.913032D+00
      2   0.160790D+01  0.142305D+01 -0.166645D+01 -0.156434D+02 -0.919671D+01
      3   0.787949D+01 -0.580473D+01 -0.358032D+01 -0.183144D+02 -0.157328D+02
                21            22            23            24            25 
      1   0.667686D+01  0.776376D+01  0.220486D+02 -0.550177D+01  0.141210D+02
      2   0.178563D+01 -0.337527D+01  0.379427D+01 -0.510944D+01 -0.124397D+02
      3   0.615011D+01  0.645658D+01  0.217545D+02 -0.734955D+01  0.315439D+01
                26            27            28            29            30 
      1   0.188639D+02 -0.216415D+02 -0.165771D+00 -0.301802D+01 -0.581735D-03
      2  -0.114053D+02  0.119983D+02 -0.253363D+01  0.142150D+00 -0.444861D+01
      3  -0.986209D+00 -0.200086D+00 -0.406927D-01  0.740645D+01 -0.139217D-01
                31            32            33            34            35 
      1  -0.920683D+00  0.187052D+00  0.570007D+01 -0.625065D-02 -0.974928D+01
      2  -0.312020D-01  0.314552D+00  0.132015D+00  0.107526D+02  0.175483D+00
      3  -0.962886D+01 -0.897982D-01  0.118153D+01  0.117630D+00  0.100417D+01
                36            37            38            39            40 
      1   0.130790D+00 -0.354311D+00 -0.149561D+01 -0.678560D+01  0.683204D+01
      2  -0.150616D+00 -0.149647D+02  0.100438D+02  0.232741D+01  0.398237D+01
      3  -0.101327D+00  0.177513D+02 -0.174544D+02 -0.647528D+01  0.454418D+01
                41            42            43            44            45 
      1  -0.221274D+02 -0.494123D+01 -0.138090D+02  0.199864D+02  0.221171D+02
      2   0.407949D+01  0.516338D+01 -0.112673D+02  0.109802D+02  0.109533D+02
      3  -0.211117D+02 -0.693961D+01 -0.324538D+01 -0.747351D+00  0.259858D+00
                46            47            48            49            50 
      1   0.552664D+01  0.395847D+01 -0.245928D+00  0.388413D+01  0.764629D+00
      2   0.114781D+02  0.198512D+01  0.363441D+01  0.372018D+01  0.221364D-01
      3  -0.498448D+01  0.763429D+01 -0.709050D+01  0.102492D+02  0.446428D+01
                51            52            53            54            55 
      1  -0.762330D+01  0.114194D+01 -0.164575D+01 -0.249497D+00 -0.485687D+00
      2  -0.565981D+01  0.142977D+01 -0.143446D+01 -0.170848D+01  0.101438D+01
      3  -0.556558D+01 -0.806953D+01 -0.556048D+01  0.361165D+01  0.373037D+01
                56            57            58            59            60 
      1   0.224335D+01  0.290043D+01  0.373496D+01 -0.684604D+01 -0.223910D+01
      2   0.297582D+00  0.913813D+01  0.107794D+01 -0.120008D+02  0.324146D+01
      3  -0.108079D+02  0.222309D+01 -0.756826D+01 -0.335888D+01  0.837815D+01
                61            62            63            64            65 
      1   0.771325D+00 -0.538341D+00  0.170664D+01 -0.506310D+01 -0.999022D+01
      2   0.266013D+01 -0.470379D+00  0.135204D+01  0.207177D+02 -0.182332D+01
      3   0.137720D+01  0.948102D+01 -0.372759D+01  0.791851D+01  0.892052D+01
                66            67            68            69            70 
      1  -0.398365D+01 -0.190853D+02  0.347058D+01 -0.835562D+01 -0.205171D+01
      2   0.120802D+01  0.406185D+01  0.542855D+01  0.471156D+01 -0.280597D+02
      3   0.309902D+01  0.299678D+02 -0.394003D+01  0.921671D+01 -0.945954D+00
                71            72            73            74            75 
      1   0.233888D+01  0.316347D+00  0.475047D+01 -0.102035D+02  0.370092D+01
      2   0.332966D+01 -0.254882D+02  0.203181D+02  0.165100D+01  0.780424D+00
      3   0.379511D+01 -0.360113D-01 -0.632155D+01  0.932888D+01 -0.275200D+01
                76            77            78            79            80 
      1  -0.195360D+02 -0.205715D+01 -0.867043D+01  0.999575D+00  0.215965D+01
      2  -0.380573D+01  0.569954D+01 -0.439281D+01 -0.282952D+02 -0.226348D+01
      3   0.303505D+02  0.240194D+01  0.927001D+01  0.989949D+00  0.368996D+01
                81            82            83            84            85 
      1  -0.140999D+01 -0.398251D+01  0.307143D+01  0.175167D+01  0.338958D+01
      2  -0.254510D+02 -0.149651D+02 -0.145247D+02  0.133954D+02 -0.477251D+01
      3   0.418207D-01 -0.196778D+02 -0.226812D+02  0.142556D+02 -0.121757D+01
                86            87            88            89            90 
      1   0.173415D+02  0.207646D+01  0.893469D+01  0.245239D+02 -0.143088D+02
      2   0.810517D+00 -0.463777D+01 -0.377610D+01 -0.147369D+02  0.119080D+02
      3   0.143275D+02 -0.174387D+01  0.664851D+01 -0.175184D+01  0.321439D+01
                91            92            93            94            95 
      1   0.842505D+01  0.315000D+01  0.637028D+01  0.399846D+01 -0.113783D+02
      2  -0.214532D+01  0.850234D+00 -0.933334D-01 -0.475279D-01  0.260278D+01
      3  -0.579038D+01 -0.118919D+01 -0.665125D+01  0.432356D+01 -0.694805D+00
                96            97            98            99           100 
      1  -0.481406D+01  0.453072D+01 -0.353997D+01  0.186229D+01  0.133908D+01
      2  -0.410817D+00 -0.333627D+01  0.564497D+00 -0.283702D+00 -0.294990D+01
      3  -0.677420D+01 -0.111111D+02 -0.760458D+01 -0.529221D+01 -0.867102D+01
               101           102           103           104           105 
      1   0.188055D+01  0.307824D+01 -0.382701D+00  0.118414D+01 -0.107926D+01
      2   0.149065D+01  0.500486D+01 -0.204016D+01  0.184254D+01 -0.147001D+01
      3  -0.386757D+01 -0.356437D+01 -0.464597D+00 -0.580846D+00 -0.164168D+01
               106           107           108           109           110 
      1   0.209620D+01  0.102341D+01  0.134139D+01  0.141707D+01 -0.143528D+01
      2   0.200937D+01 -0.501449D+00  0.235936D+01  0.490984D+01  0.230063D+01
      3  -0.154034D+01 -0.267489D+01 -0.105993D+01  0.515009D+01  0.557222D+01
               111           112           113           114           115 
      1  -0.191686D+01 -0.344929D+00 -0.142371D+01 -0.302463D+01 -0.321720D+00
      2  -0.357396D+01  0.153007D+01  0.647962D+01 -0.619805D+01 -0.327916D+01
      3  -0.358923D+01  0.496581D+01  0.126308D+02 -0.631454D+01 -0.199828D+01
               116           117           118           119           120 
      1   0.150982D+00  0.222409D+01 -0.731357D+00 -0.217299D+00  0.210942D+01
      2  -0.485541D+01  0.595297D+01 -0.113248D+01  0.815033D+00  0.370864D+01
      3  -0.537690D+01  0.562976D+01  0.490613D+00 -0.394896D+01 -0.115953D+00
               121           122           123           124           125 
      1  -0.249052D+01  0.266918D+01 -0.257320D+01  0.123468D+01 -0.397784D+00
      2  -0.277652D+01 -0.766172D+00 -0.379478D+01  0.853494D+00 -0.278977D+01
      3  -0.586586D+00  0.929491D+01  0.388395D+01  0.159286D+01  0.253329D+01
               126           127           128           129           130 
      1  -0.138365D+01 -0.425127D+01 -0.172634D+01  0.270738D+01 -0.263511D+01
      2  -0.207426D+01 -0.215024D+01  0.251285D+00  0.375535D+01  0.928139D+00
      3   0.103743D+01 -0.740323D+01 -0.613291D+01  0.423624D+01 -0.640631D+01
               131           132           133           134           135 
      1  -0.587620D+01  0.367429D+01  0.264131D+01  0.435341D+01 -0.412855D+01
      2  -0.339252D+01  0.550790D+01  0.123682D+01  0.256319D+01 -0.470403D+01
      3  -0.112506D+02  0.586620D+01  0.391677D+01  0.437641D+01 -0.562555D+01
               136           137           138           139           140 
      1   0.561225D+00 -0.379683D+00 -0.204769D+01 -0.250652D+01 -0.258629D+01
      2  -0.105410D+01 -0.797845D+00  0.396605D+01  0.288355D+01 -0.741445D+00
      3  -0.678481D+00 -0.431072D+01  0.290990D+00 -0.977910D+00 -0.908572D+01
               141           142           143           144           145 
      1  -0.231746D+01 -0.119934D+01 -0.224797D+00  0.130717D+01  0.399982D+01
      2   0.373462D+01  0.101770D+01  0.275822D+01 -0.215199D+01 -0.241949D+01
      3   0.387347D+01 -0.147673D+01  0.258413D+01 -0.104462D+01  0.692602D+01
               146           147           148           149           150 
      1  -0.166872D+01 -0.237985D+01 -0.258392D+01  0.576601D+01  0.352494D+01
      2  -0.263603D+00  0.360275D+01 -0.921951D+00 -0.357058D+01 -0.580643D+01
      3  -0.598591D+01 -0.397616D+01 -0.621972D+01  0.115004D+02  0.603538D+01
               151           152           153           154           155 
      1  -0.238060D+01  0.435646D+01  0.391430D+01 -0.140168D+01  0.182266D+01
      2   0.118768D+01 -0.282738D+01 -0.490124D+01 -0.284166D+01 -0.135660D+01
      3  -0.370959D+01  0.456179D+01  0.562472D+01  0.845807D+01 -0.419851D+01
               156           157           158           159           160 
      1  -0.290266D+01 -0.307707D+00 -0.120045D+01 -0.890016D+00 -0.194524D+01
      2   0.519760D+01  0.228568D+01  0.188600D+01  0.128666D+01  0.210389D+01
      3   0.348527D+01 -0.770080D+00  0.843001D+00 -0.179402D+01  0.140137D+01
               161           162           163           164           165 
      1   0.113945D+01 -0.124324D+01 -0.128222D+01 -0.140847D+01  0.163529D+01
      2   0.354238D+00  0.242927D+01  0.482082D+01 -0.216720D+01 -0.337022D+01
      3  -0.275107D+01  0.106201D+01 -0.472342D+01  0.524561D+01  0.331485D+01
               166           167           168           169           170 
      1  -0.281395D+00  0.178574D+01 -0.282970D+01  0.194409D+00  0.351526D+00
      2  -0.146772D+01  0.658307D+01  0.647383D+01 -0.308729D+01  0.498340D+01
      3   0.466618D+01 -0.130944D+02 -0.647305D+01  0.177629D+01 -0.546628D+01
               171           172           173           174           175 
      1  -0.197046D+01 -0.195303D+01  0.290549D+01 -0.771057D-01  0.467343D+01
      2   0.603985D+01 -0.141358D+01  0.180597D+01  0.200432D+01  0.562133D+01
      3  -0.562697D+01  0.250527D+01 -0.496348D+01  0.209052D+00 -0.456334D+01
               176           177           178           179           180 
      1  -0.682433D+01  0.548789D+00  0.185029D+01 -0.484107D+00 -0.104596D+00
      2  -0.148274D+01  0.311740D+00  0.367108D+01 -0.114625D+01  0.784517D+00
      3   0.940019D+01 -0.182059D+01 -0.135624D+01  0.185559D+01  0.205378D+00
               181           182           183           184           185 
      1  -0.198938D+01 -0.843489D+00 -0.928558D+00 -0.193074D+00 -0.602617D+00
      2  -0.685545D+00  0.640581D+00 -0.386652D+01 -0.689826D+00  0.194439D+01
      3   0.150789D+01  0.544224D-01  0.446163D+00  0.925131D+00  0.543234D+00
               186           187           188           189           190 
      1   0.679160D+00  0.927868D+00  0.272429D+01 -0.599370D+00  0.852479D+00
      2  -0.458192D+00  0.336865D+00 -0.222718D+01  0.157018D+02 -0.289891D+01
      3  -0.158404D+01 -0.123052D+01 -0.232562D+01  0.164355D+01 -0.348031D+01
               191           192           193           194           195 
      1   0.516760D+01 -0.118295D+01  0.117664D+01 -0.708025D+01 -0.115086D+01
      2   0.209267D+01  0.794389D-01  0.262597D+01 -0.323405D+01  0.133792D+01
      3   0.514371D+01 -0.181286D+01  0.536146D+01 -0.888227D+01  0.143701D+01
               196           197           198           199           200 
      1  -0.817186D+00 -0.367804D+01  0.161161D+00  0.105467D+00 -0.181588D+01
      2  -0.265344D+00  0.523145D+00 -0.521174D+00 -0.164578D+01  0.520600D+00
      3   0.602795D+00 -0.185819D+01 -0.419956D+00 -0.118421D+01 -0.122364D+01
               201           202           203           204           205 
      1   0.156133D+01 -0.134094D+01 -0.570151D+00  0.326137D+01 -0.350455D+00
      2  -0.117019D+01 -0.553506D+00 -0.939935D+00 -0.788850D+00 -0.292422D+01
      3  -0.108121D+01 -0.298303D+00 -0.886638D+00  0.130109D+01 -0.261993D+01
               206           207           208           209           210 
      1  -0.927444D+00  0.128374D+02 -0.685856D+00  0.541562D+01  0.111776D+01
      2   0.135451D+01 -0.904361D+01 -0.310404D+01 -0.233870D+01 -0.163805D-01
      3   0.171242D+00 -0.139364D+01  0.400582D+01  0.534264D+01  0.186466D+01
               211           212           213           214           215 
      1   0.139955D+01  0.664451D+01 -0.126540D+01  0.642794D+00 -0.375001D+01
      2  -0.268831D+01 -0.331525D+01 -0.128160D+01 -0.297017D+00 -0.340731D+00
      3   0.557984D+01  0.841620D+01  0.134355D+01 -0.702125D+00 -0.183352D+01
               216           217           218           219           220 
      1  -0.181473D+00 -0.320369D+00 -0.180166D+01 -0.147083D+01 -0.126703D+01
      2  -0.515399D+00 -0.163593D+01 -0.410760D+00 -0.107510D+01  0.648198D+00
      3   0.417251D+00  0.111822D+01 -0.122390D+01  0.114313D+01 -0.312976D+00
               221           222           223           224           225 
      1   0.665454D+00  0.333535D+01  0.176998D+00 -0.101867D+01 -0.132137D+02
      2  -0.981704D+00  0.682588D+00 -0.298319D+01 -0.119564D+01 -0.846854D+01
      3   0.959004D+00  0.125075D+01  0.262405D+01  0.696520D-01  0.141128D+01
               226           227           228           229           230 
      1   0.218065D+01  0.299853D+01  0.159216D+00  0.450862D+01  0.679766D+01
      2  -0.181370D+01 -0.196425D+01  0.200470D+01 -0.577572D+01 -0.154323D+01
      3  -0.287188D+01 -0.520895D+01 -0.251216D+00 -0.468430D+01 -0.954723D+01
               231           232           233           234           235 
      1   0.389080D+00 -0.169704D+01 -0.406105D+00  0.148410D+00  0.189278D+01
      2  -0.373228D+00  0.379427D+01  0.102171D+01  0.781824D+00 -0.752548D+00
      3  -0.159404D+01  0.141309D+01  0.191310D+01 -0.239345D+00 -0.145133D+01
               236           237           238           239           240 
      1  -0.914258D+00  0.787497D+00 -0.214227D+00  0.723529D+00  0.665819D+00
      2  -0.481381D+00 -0.387644D+01  0.822313D+00  0.190976D+01  0.594176D+00
      3   0.968538D-01 -0.508744D+00  0.963961D+00 -0.580437D+00 -0.156638D+01
               241           242           243           244           245 
      1  -0.793510D+00  0.284633D+01  0.126833D+01 -0.813279D+01  0.402222D+01
      2   0.481501D+00  0.208495D+01  0.156557D+02 -0.180926D+01 -0.814129D+00
      3   0.113335D+01 -0.237906D+01 -0.163384D+01  0.591344D+01 -0.145923D+01
               246           247           248           249           250 
      1  -0.655991D+01  0.480143D+01  0.110720D+02 -0.452925D+01 -0.481598D+01
      2   0.215969D+00  0.303180D-01  0.213055D+01  0.601869D+00 -0.315497D+01
      3   0.632261D+01  0.414594D+01  0.731534D+00 -0.698772D+01  0.107607D+02
               251           252           253           254           255 
      1  -0.329961D+01 -0.185785D+01  0.357934D+01  0.284857D+01 -0.976584D+00
      2  -0.248133D+00 -0.187137D+00 -0.142379D+02  0.151284D+02  0.136555D+02
      3  -0.815099D+01  0.527320D+01  0.184934D+02 -0.242764D+02 -0.143226D+02
               256           257           258           259           260 
      1   0.268082D+01 -0.176907D+02  0.224784D+01 -0.790629D+01  0.255095D+02
      2   0.527800D+01  0.631888D+00  0.386090D+01 -0.279072D+01  0.136969D+02
      3  -0.261796D+01 -0.132315D+02 -0.106985D+01 -0.667956D+01 -0.147619D+01
               261           262           263           264           265 
      1   0.147418D+02  0.527358D+01 -0.307263D+01 -0.385014D+01 -0.179805D+01
      2   0.112074D+02  0.715226D+01  0.717759D+00 -0.151706D+01 -0.253437D+01
      3  -0.323885D+01  0.123303D+02 -0.265984D+01 -0.554107D+01 -0.363732D+01
               266           267           268           269           270 
      1   0.257261D+01  0.143402D+00 -0.306304D+01  0.147234D+01  0.263551D+01
      2  -0.124124D+01  0.949268D+00 -0.735811D+00  0.209125D+00  0.456449D+00
      3   0.151136D+01  0.196875D+01 -0.231172D+01  0.222081D+00  0.297983D+01
               271           272           273           274           275 
      1   0.992523D+00  0.197037D+00  0.408256D+01 -0.716296D+00  0.412439D-01
      2  -0.113876D+01  0.354129D+01 -0.508936D+01  0.152061D+01  0.100355D+01
      3  -0.381754D+00  0.292851D+01 -0.324780D+01  0.201781D+01  0.130153D+01
               276           277           278           279           280 
      1  -0.268891D+00  0.818842D+00  0.361408D+00  0.909170D+01 -0.665238D+01
      2  -0.441787D+00 -0.267190D+01  0.214767D+01 -0.791007D+01  0.246912D+01
      3   0.122924D+00 -0.124165D+01  0.209665D+01 -0.241808D+01  0.138824D+02
               281           282           283           284           285 
      1  -0.123770D+01 -0.542608D+01 -0.412396D+00 -0.109139D+01 -0.910463D+00
      2   0.537256D+00  0.357483D+01  0.992785D-01  0.522995D+00  0.918627D-01
      3  -0.851960D+00  0.575913D+01 -0.816966D-01  0.454418D+01 -0.289556D+00
               286           287           288           289           290 
      1  -0.618764D+01 -0.837903D+00 -0.855071D+01  0.744845D-01  0.319990D+00
      2   0.128891D+01  0.131066D+01  0.333510D+01  0.209747D+00  0.329691D+00
      3   0.937827D+01 -0.420396D+00  0.494891D+01  0.192278D+01  0.344307D+01
               291           292           293           294           295 
      1  -0.167701D+01  0.181027D+01  0.405560D+01 -0.710259D+01 -0.148673D+01
      2   0.752601D+00  0.264025D+00 -0.164758D+01  0.165338D+01 -0.861066D+00
      3  -0.975154D+00  0.516768D+01 -0.257057D+01  0.226120D-01 -0.975222D+00
               296           297           298           299           300 
      1  -0.185501D+01  0.683015D+01  0.222744D-02  0.103377D+00  0.137610D+01
      2   0.150712D+01 -0.171123D+01  0.175462D+00 -0.415823D+00  0.614243D+00
      3   0.352191D+01  0.281105D+00 -0.152439D+01  0.364002D+01  0.990793D+00
               301           302           303           304           305 
      1   0.161766D+01 -0.422052D+01 -0.723712D+01  0.135816D+01 -0.199755D+01
      2  -0.413684D+00 -0.142758D+01 -0.136466D+01 -0.988239D+00 -0.138659D+01
      3   0.534303D+01  0.215108D+01 -0.302151D-01  0.114459D+01  0.349343D+01
               306           307           308           309           310 
      1  -0.690805D+01  0.663102D+01 -0.162669D+01  0.548897D+01 -0.720228D+00
      2  -0.140974D+01  0.213539D+01 -0.584461D+00  0.331473D+01 -0.165825D+00
      3  -0.274043D+00 -0.138557D+02 -0.245906D+00 -0.570008D+01  0.422432D+00
               311           312           313           314           315 
      1   0.100446D+01 -0.121688D+01  0.614054D+01 -0.128744D+01  0.864147D+01
      2   0.463020D+00 -0.209256D+00  0.945604D+00 -0.133126D+01  0.294125D+01
      3  -0.424185D+01  0.643259D-01 -0.932869D+01  0.188219D+00 -0.487901D+01
               316           317           318           319           320 
      1  -0.522120D+01 -0.289659D+01  0.378221D+01 -0.166169D+01 -0.226402D+01
      2   0.752484D+01 -0.936160D+00 -0.171770D+01  0.235875D+01 -0.118215D+01
      3  -0.126716D+02 -0.197663D+01  0.563196D+01 -0.326678D+01 -0.927452D+00
               321           322           323           324           325 
      1  -0.654849D-01  0.303401D+01  0.125187D+01 -0.261771D+01 -0.106144D+01
      2  -0.875674D+00 -0.862430D+00 -0.195199D+00  0.570193D+00 -0.129275D+01
      3   0.173205D+01  0.223848D+01  0.137817D-01 -0.297741D+01  0.606041D+00
               326           327           328           329           330 
      1   0.860714D-01 -0.431680D+01 -0.738080D+00  0.501656D-01 -0.533110D-01
      2  -0.345938D+01 -0.486813D+01 -0.141514D+01  0.124318D+01  0.670391D+00
      3   0.285551D+01  0.324998D+01  0.194912D+01 -0.154718D+01 -0.282467D-01
               331           332           333 
      1  -0.921245D+00  0.301776D+00 -0.941337D+01
      2  -0.271081D+01 -0.203467D+01 -0.748256D+01
      3   0.130702D+01  0.203118D+01  0.240737D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.410178D+02 -0.663551D+01 -0.237398D+02 -0.111274D+01  0.188101D+02
      2   0.263651D+02  0.860932D+01  0.132771D+02  0.539958D+01 -0.952507D+01
      3   0.146527D+02 -0.197381D+01  0.104627D+02 -0.428684D+01 -0.928504D+01
      4  -0.157029D+02  0.938414D+01 -0.806982D+01  0.125035D+02  0.651313D+01
      5  -0.264617D+02 -0.177898D+01 -0.533174D+01  0.406397D+01 -0.802508D+01
      6  -0.718131D+01  0.584418D+01  0.998517D-01  0.450361D+01 -0.881068D+01
                 6             7             8             9            10 
      1   0.756749D+01 -0.194654D+02  0.550429D+01 -0.528090D+00  0.118173D+02
      2  -0.965246D+01  0.111090D+02 -0.775809D+01 -0.357157D+01 -0.749552D+01
      3   0.208497D+01  0.835631D+01  0.225380D+01  0.409966D+01 -0.432176D+01
      4  -0.787564D+01 -0.492241D+01 -0.655869D+01 -0.388533D+01  0.723580D+00
      5  -0.448135D+01 -0.633448D+01 -0.354442D+01  0.475701D+01  0.103485D+02
      6  -0.942737D+01  0.941192D-01 -0.743280D+01  0.884784D+00  0.811412D+01
                11            12            13            14            15 
      1   0.311456D+01  0.133564D+02  0.109952D+01 -0.163944D+02 -0.312340D+01
      2  -0.112429D+02 -0.540708D+01 -0.115971D+02  0.382471D+01  0.101195D+02
      3   0.812831D+01 -0.794929D+01  0.104976D+02  0.125697D+02 -0.699611D+01
      4  -0.212707D+02  0.650323D+01 -0.267267D+02 -0.232283D+02  0.180550D+02
      5  -0.449848D+00 -0.907241D+01  0.142353D+01  0.206735D+02  0.406259D+01
      6   0.453992D+01 -0.673894D+00  0.998418D+01  0.117232D+02 -0.296784D+01
                16            17            18            19            20 
      1   0.102204D+02 -0.399481D+01 -0.539633D+01 -0.108822D+01  0.198160D+01
      2  -0.339052D+01  0.932936D+01  0.223877D+01 -0.339747D+01  0.253051D+01
      3  -0.682988D+01 -0.533455D+01  0.315756D+01  0.448569D+01 -0.451211D+01
      4   0.526677D+01  0.141118D+02  0.794440D+00  0.485951D+01  0.126217D+02
      5  -0.795818D+01  0.233341D+01 -0.405484D+01 -0.333073D+01 -0.220283D+01
      6  -0.142910D+01 -0.401408D+01 -0.377771D+01 -0.765103D+01 -0.605768D+01
                21            22            23            24            25 
      1  -0.675838D+01 -0.184969D+01  0.134576D+02 -0.180343D+00 -0.189322D+01
      2   0.429918D+01  0.442782D+01 -0.165774D+02  0.196662D+01  0.190968D+01
      3   0.245920D+01 -0.257813D+01  0.311977D+01 -0.178627D+01 -0.164578D-01
      4  -0.855442D+01  0.815153D+01  0.801774D+01 -0.477525D+01 -0.480095D+01
      5   0.491527D+01 -0.954018D+00 -0.656041D+01  0.255022D+01  0.512494D+01
      6   0.190990D+01 -0.642184D+01 -0.732350D+00  0.564711D+01  0.785891D+00
                26            27            28            29            30 
      1  -0.783316D+00  0.937728D+01 -0.105414D+02  0.328669D-01  0.517905D+01
      2   0.652089D+00  0.472660D+01  0.254065D+01 -0.513657D-01 -0.634776D+01
      3   0.131228D+00 -0.141039D+02  0.800070D+01  0.184988D-01  0.116871D+01
      4  -0.214083D+01  0.138720D+01 -0.469390D-01 -0.585260D+01 -0.412349D+00
      5   0.458121D+00  0.545628D+01  0.355718D+01 -0.268723D+00 -0.282616D+01
      6   0.403585D+01  0.520356D+01 -0.283759D+00 -0.405959D+01 -0.115703D-02
                31            32            33            34            35 
      1  -0.419638D-01  0.255465D+01 -0.410071D+00  0.841387D+01 -0.593063D+00
      2   0.495937D-01 -0.963889D+01  0.468203D+00 -0.909477D+01  0.601908D+00
      3  -0.762990D-02  0.708424D+01 -0.581313D-01  0.680897D+00 -0.884510D-02
      4  -0.681314D+01  0.282253D-01 -0.665473D+01 -0.667899D+00 -0.923368D+01
      5  -0.245543D+00 -0.425345D+01  0.654666D-02  0.433838D+01 -0.103091D-02
      6  -0.398239D+01  0.244439D+00 -0.269954D+01 -0.100866D-03  0.345849D+01
                36            37            38            39            40 
      1   0.311029D+00 -0.140947D+01 -0.301896D+00 -0.598368D+01  0.318411D+01
      2   0.436994D+00 -0.334910D+01 -0.417309D+01  0.346811D+01 -0.568896D+01
      3  -0.748023D+00  0.475857D+01  0.447499D+01  0.251558D+01  0.250485D+01
      4  -0.970506D-02 -0.409001D+01  0.123370D+02  0.877849D+01  0.759601D+01
      5   0.793568D+00 -0.289986D+01  0.178123D+01  0.472030D+01  0.482642D+00
      6  -0.570455D-01  0.721957D+01 -0.640115D+01 -0.188285D+01 -0.671232D+01
                41            42            43            44            45 
      1   0.126020D+02  0.174058D-01 -0.142908D+01  0.664443D+00  0.925980D+01
      2  -0.154286D+02 -0.165286D+01  0.147391D+01 -0.493407D+00  0.483520D+01
      3   0.282662D+01  0.163545D+01 -0.448304D-01 -0.171035D+00 -0.140950D+02
      4  -0.102500D+02 -0.523823D+01  0.484790D+01 -0.238797D+01 -0.156561D+01
      5  -0.662444D+01 -0.247913D+01  0.505188D+01 -0.469375D+00  0.522397D+01
      6   0.164601D+01  0.585027D+01 -0.830888D+00  0.407874D+01 -0.547219D+01
                46            47            48            49            50 
      1   0.114840D+02 -0.609374D+01  0.129133D+02 -0.454471D+01 -0.138191D+02
      2  -0.633307D+01  0.134492D+02 -0.531381D+01  0.142609D+02  0.508180D+00
      3  -0.515089D+01 -0.735544D+01 -0.759947D+01 -0.971623D+01  0.133109D+02
      4  -0.356734D+01 -0.194759D+02 -0.650239D+01 -0.247851D+02  0.260201D+02
      5   0.992994D+01  0.113489D+01 -0.922735D+01 -0.481260D+00  0.201021D+02
      6  -0.790341D+01  0.432894D+01  0.955249D+00  0.978755D+01 -0.132380D+02
                51            52            53            54            55 
      1   0.412633D+01  0.983125D+01  0.477950D+01 -0.546996D+01 -0.390462D+02
      2  -0.114747D+02 -0.332239D+01 -0.103875D+02  0.231378D+01  0.241729D+02
      3   0.734839D+01 -0.650885D+01  0.560796D+01  0.315618D+01  0.148733D+02
      4   0.176901D+02 -0.519752D+01  0.137486D+02 -0.500453D+00  0.193324D+02
      5  -0.384045D+01 -0.793382D+01 -0.222229D+01 -0.393437D+01 -0.261201D+02
      6  -0.281450D+01  0.159726D+01 -0.397741D+01  0.399634D+01  0.870980D+01
                56            57            58            59            60 
      1   0.985674D+01 -0.232945D+02  0.469196D+01  0.176277D+02 -0.720877D+01
      2  -0.108018D+02  0.129520D+02 -0.787705D+01 -0.817111D+01  0.973020D+01
      3   0.945041D+00  0.103424D+02  0.318509D+01 -0.945663D+01 -0.252143D+01
      4   0.757109D+01  0.925665D+01  0.108992D+02 -0.843341D+01 -0.751581D+01
      5   0.276877D+01 -0.510413D+01 -0.305074D+01 -0.759700D+01  0.432829D+01
      6   0.582133D+01 -0.335106D+00  0.465497D+01  0.872444D+01 -0.962541D+01
                61            62            63            64            65 
      1  -0.191654D+02 -0.524572D+01 -0.149561D+00  0.965096D+01 -0.548101D+01
      2   0.109424D+02  0.783370D+01 -0.395016D+01 -0.947936D+01  0.509027D+01
      3   0.822299D+01 -0.258798D+01  0.409973D+01 -0.171599D+00  0.390739D+00
      4   0.589205D+01 -0.618874D+01  0.373897D+01 -0.172202D+02 -0.639110D+01
      5  -0.613840D+01  0.350173D+01  0.474007D+01  0.106372D+02 -0.465595D+01
      6  -0.168765D+00 -0.760557D+01 -0.108503D+01 -0.306098D+01 -0.452546D+01
                66            67            68            69            70 
      1   0.611960D+01 -0.930432D+01 -0.943571D+01 -0.330799D+01  0.375441D+01
      2  -0.621338D+01  0.688593D+01  0.191416D+01  0.130978D+01 -0.326492D+01
      3   0.937798D-01  0.241839D+01  0.752154D+01  0.199821D+01 -0.489491D+00
      4  -0.772405D+01 -0.954251D+00 -0.292264D+01  0.654992D+01 -0.377986D+01
      5   0.780681D+01 -0.511726D+01  0.194132D+01 -0.113679D+01  0.506524D+01
      6  -0.126433D+01 -0.268197D+01 -0.161187D+01  0.355373D+01 -0.976574D+00
                71            72            73            74            75 
      1  -0.127205D+01  0.795442D+01  0.118221D+02  0.409649D+01  0.698296D+01
      2   0.246304D+01  0.712020D+01 -0.114949D+02 -0.401270D+01 -0.696663D+01
      3  -0.119100D+01 -0.150746D+02 -0.327200D+00 -0.837899D-01 -0.163245D-01
      4   0.262128D+01 -0.389048D+01  0.160724D+02 -0.730381D+01  0.747841D+01
      5  -0.155636D+01 -0.746436D+01  0.112757D+02  0.409888D+01  0.796275D+01
      6   0.405479D+01  0.878774D+00  0.231441D+01 -0.473107D+01  0.110028D+01
                76            77            78            79            80 
      1   0.827550D+01 -0.983343D+01  0.354572D+01  0.423401D+01  0.133055D+01
      2  -0.618252D+01  0.222172D+01 -0.152180D+01 -0.375625D+01 -0.251100D+01
      3  -0.209298D+01  0.761172D+01 -0.202392D+01 -0.477758D+00  0.118045D+01
      4  -0.226944D+01  0.374572D+01  0.600208D+01  0.362658D+01  0.234101D+01
      5   0.457648D+01  0.156566D+01  0.919301D+00  0.527904D+01  0.150225D+01
      6  -0.293761D+01  0.187260D+01  0.347348D+01  0.956732D+00  0.396465D+01
                81            82            83            84            85 
      1   0.833981D+01 -0.661920D+01 -0.286471D+01  0.984537D+01 -0.559870D+01
      2   0.675826D+01  0.956661D+01  0.304903D+01 -0.273279D+01  0.894928D+01
      3  -0.150981D+02 -0.294741D+01 -0.184326D+00 -0.711258D+01 -0.335058D+01
      4   0.386337D+01 -0.608670D+01  0.250067D+01  0.526875D+01  0.245358D+01
      5  -0.746840D+01  0.891512D+01 -0.130636D+01 -0.185207D+01 -0.144496D+01
      6  -0.551232D+00  0.531563D+01 -0.425303D+01  0.481062D+01 -0.320289D+01
                86            87            88            89            90 
      1  -0.150898D+02  0.822216D+01  0.673314D+01  0.453948D+01  0.311206D+01
      2   0.142776D+02 -0.159677D+02  0.160137D+00 -0.869723D+01  0.405272D+01
      3   0.812180D+00  0.774556D+01 -0.689328D+01  0.415775D+01 -0.716478D+01
      4   0.415362D+01 -0.345951D+01  0.567603D+01 -0.307519D+01  0.294441D+01
      5  -0.717729D+01  0.159333D+01 -0.620361D+00  0.535633D+00 -0.221711D+01
      6  -0.121097D+02  0.479051D+01  0.394350D+01  0.242888D+01  0.608012D+01
                91            92            93            94            95 
      1  -0.217948D+01  0.274387D+01 -0.666219D+01  0.622943D+01  0.148180D+02
      2   0.196032D+00 -0.464500D+01  0.414591D+01 -0.114692D+02 -0.191504D+02
      3   0.198345D+01  0.190114D+01  0.251629D+01  0.523973D+01  0.433234D+01
      4  -0.555529D+01 -0.308212D+01 -0.128057D+02 -0.416578D+01 -0.102340D+02
      5  -0.575092D+01 -0.143878D+01 -0.339116D+01 -0.107698D+01  0.685848D+01
      6  -0.129836D+02  0.339676D+01 -0.837698D+01  0.396062D+01  0.287083D+02
                96            97            98            99           100 
      1  -0.151798D+02 -0.936749D+01 -0.204678D+02  0.268017D+01  0.690036D+02
      2   0.291057D+02  0.756259D+01  0.336014D+02 -0.657494D+01 -0.372634D+02
      3  -0.139259D+02  0.180490D+01 -0.131337D+02  0.389478D+01 -0.317402D+02
      4   0.553135D+01 -0.143135D+02  0.888679D+01 -0.111718D+02 -0.309797D+02
      5  -0.478921D+00 -0.481057D+01 -0.350170D+01 -0.101854D+00  0.314271D+02
      6  -0.951687D+01 -0.111529D+02 -0.127674D+02  0.178796D+01 -0.949319D+01
               101           102           103           104           105 
      1  -0.947234D+01  0.188855D+02  0.196870D+01  0.531464D+01  0.223320D+01
      2   0.253673D+01 -0.127430D+02 -0.446240D+01 -0.166547D+01 -0.334263D+01
      3   0.693560D+01 -0.614249D+01  0.249370D+01 -0.364917D+01  0.110943D+01
      4   0.132908D+02 -0.879789D+01  0.997625D+01 -0.502245D+01  0.402193D+01
      5  -0.491842D+01  0.182931D+02  0.728661D+00  0.505249D+01 -0.538594D+00
      6   0.329969D+01 -0.641965D+01  0.269956D+01 -0.300359D+01  0.355760D+01
               106           107           108           109           110 
      1   0.145876D+02 -0.725098D+00  0.108585D+02 -0.288944D+01 -0.917804D+01
      2  -0.117562D+02 -0.591819D+00 -0.892134D+01  0.282532D+01  0.856136D+01
      3  -0.283144D+01  0.131692D+01 -0.193713D+01  0.641200D-01  0.616681D+00
      4  -0.808152D+01  0.442670D+01 -0.695107D+01 -0.137222D+00 -0.111646D+01
      5   0.204801D+02 -0.410178D+01  0.130240D+02  0.298937D+01 -0.603731D+00
      6  -0.705020D+01  0.440235D+01 -0.460879D+01 -0.507848D+01 -0.577969D+01
               111           112           113           114           115 
      1   0.870896D+01 -0.557897D+01 -0.188330D+02  0.966903D+01  0.587407D+01
      2  -0.469086D+01  0.362194D+01  0.238263D+02 -0.885728D+01 -0.264631D+01
      3  -0.401810D+01  0.195704D+01 -0.499330D+01 -0.811752D+00 -0.322776D+01
      4  -0.195811D+01  0.462900D+01 -0.142370D+02  0.682390D+01 -0.459841D+01
      5  -0.900294D+00 -0.214323D+01  0.693770D+01 -0.863955D+01  0.318382D+01
      6   0.525090D+01 -0.553322D+00 -0.177919D+02  0.141607D+02  0.481524D+00
               116           117           118           119           120 
      1   0.767467D+01 -0.972776D+01  0.144401D+02 -0.925573D+01 -0.507359D+01
      2  -0.602269D+01  0.467112D+01 -0.328239D+00 -0.324447D+01  0.122856D+01
      3  -0.165198D+01  0.505664D+01 -0.141118D+02  0.125002D+02  0.384504D+01
      4   0.699527D+01 -0.523521D+01 -0.240895D+02  0.230573D+02  0.764778D+01
      5  -0.649905D+01  0.781631D+01 -0.107862D+02  0.716073D+01  0.873254D+01
      6   0.128688D+02 -0.130283D+02  0.713225D+01 -0.573355D+01 -0.466358D+01
               121           122           123           124           125 
      1  -0.875869D+01 -0.116889D+00 -0.150390D+01 -0.371332D+01 -0.160324D+01
      2  -0.846324D+01  0.238228D+02  0.649642D+01  0.111813D+01  0.367456D+01
      3   0.172219D+02 -0.237060D+02 -0.499252D+01  0.259519D+01 -0.207132D+01
      4   0.325130D+02 -0.446053D+02 -0.149878D+02  0.864408D+01 -0.117369D+02
      5   0.998212D+01 -0.151064D+02 -0.102065D+02  0.114711D+02 -0.105901D+02
      6  -0.101056D+02  0.176358D+02  0.114291D+02 -0.782740D+01  0.119151D+02
               126           127           128           129           130 
      1   0.878632D+00  0.219679D+02  0.753654D+01 -0.970942D+01  0.156369D+02
      2   0.146513D+01 -0.157871D+02 -0.691765D+01  0.823308D+01 -0.132342D+02
      3  -0.234376D+01 -0.618087D+01 -0.618885D+00  0.147634D+01 -0.240270D+01
      4  -0.114525D+02  0.189608D+01  0.672532D+01 -0.107489D+00  0.637018D+01
      5  -0.871247D+01 -0.148809D+02 -0.399768D+01  0.125841D+02 -0.908090D+01
      6   0.835120D+01  0.935489D+00 -0.178273D+01 -0.198739D+01 -0.257675D+01
               131           132           133           134           135 
      1   0.851546D+01 -0.530525D+01 -0.968321D+01 -0.161757D+01  0.638837D+01
      2  -0.794215D+01  0.852235D+01  0.919255D+01  0.492179D+01 -0.106329D+02
      3  -0.573314D+00 -0.321710D+01  0.490662D+00 -0.330422D+01  0.424455D+01
      4   0.883449D+01 -0.698079D+01  0.162164D+01 -0.602743D+01  0.265709D+01
      5  -0.985684D+01  0.116263D+02  0.132760D+02  0.559677D+01 -0.146228D+02
      6  -0.187957D+01  0.343898D+00 -0.143801D+01  0.244729D+01  0.119301D+01
               136           137           138           139           140 
      1   0.175553D+02  0.106457D+02 -0.571201D+01  0.109496D+02  0.283878D+01
      2  -0.211403D+01  0.220133D+01  0.165234D+01  0.660944D+01  0.195364D+02
      3  -0.154413D+02 -0.128470D+02  0.405967D+01 -0.175590D+02 -0.223752D+02
      4   0.257895D+02  0.235245D+02 -0.801206D+01  0.332141D+02  0.430221D+02
      5  -0.118919D+02 -0.759041D+01  0.939307D+01 -0.105906D+02 -0.150784D+02
      6  -0.732632D+01 -0.583659D+01  0.476315D+01 -0.100911D+02 -0.162945D+02
               141           142           143           144           145 
      1   0.428393D+00 -0.445666D+01  0.743054D+00  0.188047D+01  0.207451D+02
      2  -0.525393D+01  0.174598D+01 -0.272177D+01  0.462205D+00 -0.147104D+02
      3   0.482554D+01  0.271069D+01  0.197872D+01 -0.234267D+01 -0.603470D+01
      4  -0.149523D+02 -0.895794D+01 -0.115720D+02  0.114610D+02 -0.293330D+01
      5   0.103050D+02  0.123087D+02  0.106047D+02 -0.911288D+01 -0.143457D+02
      6   0.107803D+02  0.783613D+01  0.111267D+02 -0.799707D+01 -0.485455D+00
               146           147           148           149           150 
      1  -0.758156D+01 -0.947626D+01 -0.157672D+02  0.865338D+01  0.509659D+01
      2   0.668900D+01  0.784093D+01  0.130484D+02 -0.795105D+01 -0.822770D+01
      3   0.892552D+00  0.163532D+01  0.271885D+01 -0.702328D+00  0.313111D+01
      4   0.709898D+01  0.553121D+00  0.739266D+01 -0.981968D+01 -0.757700D+01
      5   0.413376D+01  0.121203D+02  0.919965D+01 -0.102929D+02 -0.121104D+02
      6  -0.185084D+01  0.146003D+01 -0.285900D+01  0.239120D+01  0.790693D+00
               151           152           153           154           155 
      1  -0.982568D+01  0.147912D+01  0.612380D+01  0.716999D+02  0.776329D+01
      2   0.914317D+01 -0.477166D+01 -0.103627D+02 -0.396282D+02 -0.204804D+01
      3   0.682508D+00  0.329254D+01  0.423894D+01 -0.320718D+02 -0.571525D+01
      4  -0.110353D+01 -0.625280D+01 -0.339855D+01  0.272465D+02  0.117590D+02
      5   0.130880D+02 -0.605470D+01 -0.146700D+02  0.319526D+02  0.391864D+01
      6   0.970953D+00  0.264949D+01 -0.564455D+00  0.838169D+01  0.285033D+01
               156           157           158           159           160 
      1   0.194854D+02 -0.403476D+01  0.542814D+01 -0.273685D+01  0.153115D+02
      2  -0.132976D+02  0.525432D+01 -0.215898D+01  0.357971D+01 -0.124015D+02
      3  -0.618784D+01 -0.121956D+01 -0.326916D+01 -0.842867D+00 -0.290992D+01
      4   0.759463D+01  0.917395D+01  0.368887D+01  0.392132D+01  0.714972D+01
      5   0.185742D+02 -0.179638D+01  0.503831D+01 -0.126167D+00  0.209616D+02
      6   0.578122D+01  0.247437D+01  0.252888D+01  0.327862D+01  0.635607D+01
               161           162           163           164           165 
      1   0.471647D+00  0.114364D+02 -0.225084D+01  0.838960D+01  0.844955D+01
      2   0.739029D+00 -0.949989D+01  0.231359D+01 -0.756144D+01 -0.447158D+01
      3  -0.121068D+01 -0.193652D+01 -0.627490D-01 -0.828160D+00 -0.397797D+01
      4   0.412866D+01  0.608459D+01  0.506437D+00 -0.120519D+01  0.170754D+01
      5   0.339999D+01  0.132438D+02  0.331851D+01  0.551583D+00 -0.711558D+00
      6   0.395809D+01  0.405810D+01  0.469148D+01 -0.523624D+01 -0.458938D+01
               166           167           168           169           170 
      1   0.534258D+01 -0.181734D+02 -0.942215D+01  0.596056D+01 -0.731904D+01
      2  -0.316483D+01  0.230573D+02  0.844735D+01 -0.280521D+01  0.553198D+01
      3  -0.217775D+01 -0.488387D+01  0.974799D+00 -0.315535D+01  0.178706D+01
      4   0.488824D+01  0.158909D+02  0.752246D+01  0.453257D+01  0.736467D+01
      5   0.230591D+01  0.757283D+01  0.926599D+01  0.346067D+01  0.689775D+01
      6  -0.111724D+00  0.177339D+02  0.139755D+02 -0.865437D-01  0.125882D+02
               171           172           173           174           175 
      1  -0.924785D+01  0.123057D+02 -0.598553D+01  0.255727D+00 -0.111212D+02
      2   0.420123D+01 -0.444551D+01  0.213050D+01 -0.718197D+00  0.590588D+01
      3   0.504662D+01 -0.786017D+01  0.385503D+01  0.462471D+00  0.521537D+01
      4   0.583084D+01 -0.107152D+02  0.114096D+02 -0.230851D+01  0.910414D+01
      5   0.836763D+01  0.324471D+01 -0.291285D+01  0.304748D+01 -0.808501D+01
      6   0.126709D+02 -0.294364D+01  0.367068D+01 -0.135301D+01  0.417558D+01
               176           177           178           179           180 
      1   0.484868D+01 -0.212046D+01 -0.585946D+01  0.118511D+01 -0.950158D+00
      2   0.143157D+00  0.344600D+01  0.289231D+01  0.621389D+00 -0.746761D+00
      3  -0.499184D+01 -0.132554D+01  0.296715D+01 -0.180650D+01  0.169692D+01
      4  -0.172922D+02  0.184868D+01 -0.188351D+01 -0.210023D+01 -0.367233D+01
      5   0.325827D+01 -0.549695D+01  0.167322D+00 -0.292769D+01  0.655873D+00
      6  -0.677789D+01  0.193222D+01 -0.114153D+01  0.848755D+00 -0.168577D+01
               181           182           183           184           185 
      1  -0.354523D+01 -0.255274D+00  0.324030D+01  0.171608D+00 -0.119007D+01
      2   0.105120D+01 -0.439451D+00  0.160147D+01 -0.114641D+00 -0.191840D+01
      3   0.249403D+01  0.694725D+00 -0.484177D+01 -0.569672D-01  0.310846D+01
      4  -0.275162D+01  0.544528D+00 -0.473238D+00  0.305201D+01 -0.229960D+00
      5  -0.119385D+01 -0.404838D+00  0.824497D+00 -0.459557D+00  0.291693D+01
      6   0.208494D+00  0.657647D+00 -0.688462D-01  0.159324D+01 -0.320387D+00
               186           187           188           189           190 
      1  -0.852097D-02  0.263535D+01  0.193185D+01 -0.168886D+02 -0.391830D+01
      2   0.701218D+00 -0.594686D+01  0.163063D+01 -0.187259D+02  0.565772D+01
      3  -0.692697D+00  0.331151D+01 -0.356249D+01  0.356145D+02 -0.173942D+01
      4   0.322688D+01  0.127646D+01  0.433664D+01 -0.349329D+01 -0.463379D+01
      5  -0.602725D+00  0.817038D+01 -0.227949D+01  0.227786D+02  0.297532D+01
      6   0.530835D+01  0.264798D+00  0.350981D+01  0.802495D+00  0.297768D+00
               191           192           193           194           195 
      1   0.651332D+01 -0.174658D+01  0.689768D+01 -0.198526D+02  0.438944D+01
      2  -0.821856D+01  0.106225D+01 -0.671702D+01  0.307023D+02 -0.351943D+01
      3   0.170524D+01  0.684325D+00 -0.180663D+00 -0.108497D+02 -0.870007D+00
      4   0.697252D+00  0.178425D+01  0.580520D+01  0.179595D+01 -0.468747D+00
      5  -0.437625D+00 -0.768877D+00 -0.278661D+01  0.189188D+01  0.100405D+01
      6   0.634528D+01 -0.305275D+01  0.159714D+01 -0.114987D+02  0.621422D+01
               196           197           198           199           200 
      1   0.152160D+01  0.710982D+00 -0.421824D+01 -0.573680D+00  0.134338D+01
      2  -0.130808D+01  0.279325D+01  0.236253D+01 -0.246924D+01 -0.996394D+00
      3  -0.213516D+00 -0.350424D+01  0.185571D+01  0.304292D+01 -0.346983D+00
      4   0.310488D+01  0.351529D+01 -0.160018D+01  0.220626D+00 -0.610373D+00
      5  -0.905892D+00 -0.131410D+00  0.677918D+00 -0.180111D+01  0.771381D-01
      6  -0.211428D+01  0.255312D+01 -0.174576D+01 -0.553630D+00  0.206956D+01
               201           202           203           204           205 
      1  -0.324044D+01 -0.114358D+01 -0.377122D+01  0.290659D+00 -0.312349D+01
      2   0.907830D+00  0.101542D+01  0.132323D+01 -0.425663D+01  0.265108D+01
      3   0.233261D+01  0.128163D+00  0.244799D+01  0.396597D+01  0.472415D+00
      4  -0.102336D+01 -0.187302D+01 -0.312210D+01  0.344651D-01 -0.393071D+01
      5   0.388882D+01  0.875669D+00  0.417730D+00 -0.208731D+01  0.407424D+01
      6  -0.171642D+01  0.180133D+01 -0.651963D+00  0.228867D+01  0.814686D+00
               206           207           208           209           210 
      1   0.464471D+01 -0.204279D+02 -0.409574D+01 -0.712178D+01 -0.208336D+01
      2  -0.440273D+00 -0.142478D+02  0.591695D+01  0.923951D+01  0.136474D+01
      3  -0.420444D+01  0.346757D+02 -0.182122D+01 -0.211773D+01  0.718616D+00
      4  -0.283907D+01 -0.540102D+00  0.539913D+01  0.114099D+01 -0.166025D+01
      5   0.301908D+01 -0.141401D+02  0.313473D+01  0.687462D+00 -0.662951D+00
      6   0.741226D+01 -0.182466D+02 -0.672041D-01  0.680747D+01  0.335327D+01
               211           212           213           214           215 
      1  -0.704464D+01 -0.193100D+02 -0.430135D+01  0.124009D+01 -0.422984D+00
      2   0.727255D+01  0.300947D+02  0.345572D+01 -0.118278D+01 -0.309680D+01
      3  -0.227909D+00 -0.107848D+02  0.845631D+00 -0.573098D-01  0.351978D+01
      4   0.615716D+01  0.102505D+00 -0.497452D-01 -0.306979D+01  0.353223D+01
      5   0.281434D+01  0.224632D+01 -0.702452D+00 -0.808093D+00  0.269969D+00
      6   0.196482D+01  0.109768D+02  0.608625D+01  0.225073D+01  0.244186D+01
               216           217           218           219           220 
      1  -0.405776D+01 -0.629343D+00 -0.152137D+01 -0.316089D+01  0.846493D+00
      2   0.221619D+01 -0.242684D+01  0.120318D+01  0.991543D+00 -0.688114D+00
      3   0.184158D+01  0.305618D+01  0.318196D+00  0.216935D+01 -0.158378D+00
      4   0.187648D+01 -0.399628D+00 -0.346463D+00  0.121605D+01 -0.178781D+01
      5   0.757402D+00 -0.179915D+01  0.115960D+00  0.404407D+01 -0.685991D+00
      6   0.169248D+01  0.810169D+00  0.207122D+01  0.164900D+01  0.182626D+01
               221           222           223           224           225 
      1  -0.347112D+01 -0.164338D+00 -0.299044D+01 -0.478671D+01 -0.203816D+02
      2   0.103352D+01  0.418831D+01  0.231612D+01  0.570475D+00 -0.142638D+02
      3   0.243759D+01 -0.402397D+01  0.674319D+00  0.421623D+01  0.346454D+02
      4   0.342216D+01  0.183518D+00  0.406090D+01 -0.279390D+01  0.793455D+00
      5   0.472371D+00  0.198735D+01  0.390266D+01 -0.288007D+01 -0.132971D+02
      6   0.484456D+00  0.214749D+01 -0.656766D+00  0.760768D+01  0.188936D+02
               226           227           228           229           230 
      1   0.139447D+02  0.664011D+01  0.537484D+00  0.116576D+02  0.511258D+01
      2  -0.571005D+01 -0.296453D+01 -0.103752D+01 -0.669489D+01 -0.257887D+00
      3  -0.823467D+01 -0.367557D+01  0.500036D+00 -0.496273D+01 -0.485470D+01
      4   0.107918D+02  0.112372D+02  0.232334D+01  0.854706D+01  0.163245D+02
      5   0.383777D+01  0.306256D+01  0.332438D+01  0.832583D+01  0.284572D+01
      6   0.311703D+01  0.368699D+01  0.129061D+01  0.405002D+01  0.615059D+01
               231           232           233           234           235 
      1   0.242194D+01 -0.575865D+01 -0.102545D+01 -0.672206D+00 -0.327231D+01
      2  -0.384202D+01  0.274782D+01 -0.702107D+00 -0.998749D+00  0.804039D+00
      3   0.142008D+01  0.301083D+01  0.172756D+01  0.167095D+01  0.246827D+01
      4   0.148995D+01  0.219204D+01 -0.217827D+01  0.366690D+01  0.307447D+01
      5   0.553856D+01  0.322591D+00  0.299288D+01  0.707317D+00 -0.114892D+01
      6   0.172240D+01  0.114185D+01  0.719500D+00  0.164624D+01 -0.658609D-01
               236           237           238           239           240 
      1   0.383961D+00  0.328861D+01  0.181160D+00 -0.119065D+01  0.139407D+00
      2   0.284505D+00  0.151959D+01 -0.260066D+00 -0.194702D+01 -0.103949D+01
      3  -0.668466D+00 -0.480820D+01  0.789063D-01  0.313768D+01  0.900087D+00
      4   0.430260D+00  0.532792D+00  0.292591D+01  0.482518D-01  0.316339D+01
      5   0.601973D+00  0.862908D+00  0.697032D+00  0.287911D+01  0.788327D+00
      6   0.652836D+00  0.257951D+00  0.158209D+01  0.999219D-01  0.526719D+01
               241           242           243           244           245 
      1   0.243666D+01 -0.165997D+01 -0.165819D+02 -0.207465D+01 -0.220003D+01
      2  -0.589929D+01 -0.174970D+01 -0.190170D+02  0.389321D+00  0.396187D+01
      3   0.346262D+01  0.340967D+01  0.355989D+02  0.168533D+01 -0.176183D+01
      4  -0.145361D+01  0.439899D+01  0.338896D+01  0.536787D+01 -0.256896D+01
      5   0.824435D+01  0.206905D+01  0.226955D+02 -0.501180D+01  0.208908D+01
      6  -0.468725D+00  0.342938D+01 -0.178007D+01  0.134593D+02  0.140245D+01
               246           247           248           249           250 
      1  -0.478243D+01 -0.585531D+01  0.159416D+02  0.157832D+02 -0.713677D+01
      2   0.163141D+01  0.110177D+02 -0.204772D+02 -0.295844D+02  0.474939D+01
      3   0.315102D+01 -0.516242D+01  0.453561D+01  0.138012D+02  0.238737D+01
      4   0.133814D+02 -0.319759D+01  0.898649D+01  0.298757D+01  0.152726D+02
      5  -0.300045D+01  0.169092D+01  0.538693D+01  0.148394D+00 -0.415461D+01
      6   0.807405D+01  0.207388D+01 -0.292152D+02 -0.986936D+01  0.107638D+02
               251           252           253           254           255 
      1   0.215298D+02  0.366869D+01 -0.567321D+01  0.274842D+01  0.901375D+01
      2  -0.346078D+02 -0.757419D+01  0.845014D+01 -0.312067D+01 -0.156833D+01
      3   0.130780D+02  0.390550D+01 -0.277693D+01  0.372247D+00 -0.744542D+01
      4   0.583453D+01  0.107137D+02  0.697165D+01  0.188375D+01 -0.592597D+01
      5   0.312049D+01 -0.169722D+00  0.875719D+01  0.454408D+00 -0.212547D+01
      6  -0.134035D+02 -0.179881D+01 -0.602726D+01 -0.356330D+01 -0.452900D+01
               256           257           258           259           260 
      1   0.530670D+01 -0.158671D+02 -0.892518D+01  0.601044D+01 -0.509061D+01
      2  -0.885091D+01  0.151579D+02  0.163407D+02  0.104522D+01  0.887952D+01
      3   0.354420D+01  0.709188D+00 -0.741554D+01 -0.705567D+01 -0.378891D+01
      4   0.134936D+01 -0.295333D+01 -0.211681D+01 -0.608275D+01 -0.223195D+01
      5   0.639554D+00 -0.671552D+01 -0.128928D+01 -0.797992D+00 -0.365854D+00
      6  -0.244160D+01  0.127533D+02  0.506259D+01 -0.382037D+01  0.262812D+01
               261           262           263           264           265 
      1   0.285864D+01  0.173825D+02 -0.287137D+01 -0.556188D+01 -0.431430D+00
      2   0.427065D+01 -0.153551D+02  0.585646D+01  0.790299D+01  0.230193D+01
      3  -0.712930D+01 -0.202735D+01 -0.298509D+01 -0.234110D+01 -0.187050D+01
      4  -0.289617D+01  0.149315D+02  0.615007D+01 -0.720154D+01  0.131668D+01
      5  -0.248434D+01 -0.175152D+02 -0.262896D+01  0.108486D+02  0.222118D+01
      6  -0.596802D+01 -0.701506D+01 -0.353581D+01  0.632690D+01 -0.209320D+00
               266           267           268           269           270 
      1   0.431338D+01 -0.595299D+00 -0.328692D+01 -0.571996D+00  0.148767D+01
      2  -0.301529D+01 -0.375716D+00  0.658620D+01  0.158282D+01 -0.715056D+01
      3  -0.129808D+01  0.971015D+00 -0.329928D+01 -0.101083D+01  0.566288D+01
      4   0.401861D-02  0.375159D+00 -0.280059D+01 -0.198801D+00  0.313345D+01
      5  -0.217351D+00 -0.126715D+01  0.792434D+01  0.468875D-01 -0.720718D+01
      6   0.163806D+01 -0.217085D+00  0.327702D+01  0.120602D+01 -0.479036D+01
               271           272           273           274           275 
      1  -0.254195D+00  0.617208D+01 -0.732927D+01  0.184956D+01 -0.182647D+01
      2  -0.430808D+01 -0.620176D+01 -0.188013D+01 -0.189784D+01 -0.519054D+00
      3   0.456228D+01  0.296832D-01  0.920940D+01  0.482738D-01  0.234553D+01
      4  -0.362018D+01 -0.801477D+00 -0.333113D+01 -0.192682D-01 -0.203150D+01
      5   0.186645D+01  0.298131D+00  0.339141D+01 -0.129272D-01  0.220700D+01
      6  -0.243290D+01  0.547300D+01 -0.849756D+01  0.243925D+01 -0.237300D+01
               276           277           278           279           280 
      1   0.158564D+01 -0.246825D+01  0.611214D+01 -0.150542D+02  0.122225D+02
      2  -0.590887D+00 -0.115422D+01 -0.227882D+01 -0.123865D+02 -0.273779D+01
      3  -0.994749D+00  0.362247D+01 -0.383333D+01  0.274407D+02 -0.948470D+01
      4   0.128211D+01 -0.329038D+01 -0.892194D+00 -0.307967D+01  0.250264D+02
      5  -0.958893D+00  0.384553D+01  0.301208D+00 -0.129686D+01  0.751292D+01
      6   0.505857D+01 -0.170722D+01  0.746918D+01 -0.200373D+02  0.965905D+01
               281           282           283           284           285 
      1  -0.246300D+01  0.449904D+01 -0.327012D+01 -0.135216D+01 -0.779740D+00
      2   0.101092D+02 -0.134341D+01  0.721670D+01  0.529008D+01  0.994759D+00
      3  -0.764623D+01 -0.315563D+01 -0.394658D+01 -0.393792D+01 -0.215020D+00
      4   0.118385D+02  0.956571D+01  0.617841D+01  0.840307D+01  0.190406D+01
      5   0.168306D+01  0.636868D+01  0.669351D+00  0.177834D+01  0.741785D+00
      6   0.295068D+01  0.862937D+01  0.120557D+01  0.166015D+01  0.343778D+01
               286           287           288           289           290 
      1   0.505629D+01 -0.104398D+01  0.664028D+00 -0.316843D+01 -0.775326D+00
      2  -0.210218D+01  0.445925D+01  0.399964D+00  0.816010D+01  0.550253D+01
      3  -0.295411D+01 -0.341527D+01 -0.106399D+01 -0.499167D+01 -0.472720D+01
      4   0.153799D+02  0.616004D+01  0.102337D+02  0.775653D+01  0.149688D+02
      5   0.772288D+01  0.303901D+01  0.755636D+01 -0.146143D+01 -0.329278D+01
      6   0.106097D+02  0.775819D+01  0.131440D+02 -0.448141D+01 -0.421253D+01
               291           292           293           294           295 
      1   0.100639D+01 -0.444913D+01 -0.357410D+02  0.128917D+02  0.398448D+01
      2  -0.224433D+01  0.108416D+02  0.634942D+02 -0.202523D+02 -0.606442D+01
      3   0.123795D+01 -0.639250D+01 -0.277532D+02  0.736068D+01  0.207994D+01
      4  -0.471026D+01  0.122431D+02  0.192969D+02 -0.739234D+01 -0.574840D+01
      5   0.364365D+01 -0.192459D+01 -0.462493D+01  0.306001D+01  0.404820D+01
      6   0.352506D+01 -0.603140D+01 -0.291888D+02  0.181361D+02  0.733022D+01
               296           297           298           299           300 
      1   0.195398D+02 -0.128616D+02 -0.356997D+01  0.586077D+00  0.806697D+00
      2  -0.284675D+02  0.153940D+02  0.811603D+01 -0.427633D+01 -0.171351D+01
      3   0.892765D+01 -0.253234D+01 -0.454607D+01  0.369025D+01  0.906810D+00
      4  -0.107427D+02  0.810166D+01 -0.608145D+01  0.142360D+02  0.428422D+01
      5   0.506630D+01 -0.441432D+01 -0.105794D+01  0.298492D+01  0.336971D+01
      6   0.260916D+02 -0.209253D+02  0.413420D+01 -0.322546D+01 -0.285902D+01
               301           302           303           304           305 
      1   0.401674D+01 -0.375158D+02 -0.135253D+02  0.355505D+01 -0.205898D+02
      2  -0.938412D+01  0.657130D+02  0.209336D+02 -0.523714D+01  0.296225D+02
      3   0.536738D+01 -0.281973D+02 -0.740828D+01  0.168208D+01 -0.903273D+01
      4   0.111230D+02 -0.159739D+02 -0.608981D+01  0.490975D+01 -0.880315D+01
      5   0.155415D+01 -0.352752D+01 -0.240219D+01  0.353979D+01 -0.407237D+01
      6  -0.499220D+01  0.297652D+02  0.183965D+02 -0.632575D+01  0.266002D+02
               306           307           308           309           310 
      1  -0.135260D+02  0.102339D+02  0.279872D+01  0.362594D+01  0.318521D+01
      2   0.160691D+02 -0.124481D+01 -0.105732D+02 -0.452012D+00 -0.730295D+01
      3  -0.254309D+01 -0.898907D+01  0.777445D+01 -0.317393D+01  0.411773D+01
      4  -0.681906D+01 -0.248237D+02  0.119247D+02 -0.970845D+01  0.639445D+01
      5  -0.348387D+01  0.694811D+01 -0.185134D+01  0.592247D+01 -0.894455D+00
      6   0.210989D+02 -0.975799D+01  0.342554D+01 -0.871753D+01  0.162003D+01
               311           312           313           314           315 
      1  -0.259156D+01  0.690508D+00  0.369456D+01  0.126315D+01 -0.304732D+00
      2   0.715041D+01 -0.982688D+00 -0.860866D+00 -0.470910D+01  0.139965D+01
      3  -0.455885D+01  0.292180D+00 -0.283370D+01  0.344595D+01 -0.109492D+01
      4  -0.894486D+01  0.223923D+01 -0.153803D+02  0.654830D+01 -0.102000D+02
      5   0.171544D+01 -0.891370D+00  0.708591D+01 -0.307181D+01  0.693515D+01
      6  -0.185815D+01  0.388524D+01 -0.105512D+02  0.841760D+01 -0.134369D+02
               316           317           318           319           320 
      1   0.163283D+02  0.301238D+01 -0.486417D+01  0.329457D+00  0.435984D+01
      2  -0.144377D+02 -0.595138D+01  0.725987D+01 -0.209269D+01 -0.275625D+01
      3  -0.189053D+01  0.293899D+01 -0.239570D+01  0.176323D+01 -0.160359D+01
      4  -0.159577D+02  0.619042D+01  0.779099D+01  0.190292D+01 -0.110909D+01
      5  -0.172001D+02  0.317267D+01  0.106247D+02 -0.156044D+01 -0.414154D+00
      6   0.758654D+01 -0.397323D+01 -0.681172D+01 -0.550722D+00 -0.129346D+01
               321           322           323           324           325 
      1   0.845182D+00 -0.295483D+01  0.758312D+00  0.119166D+01 -0.318509D+00
      2   0.241853D-01  0.622975D+01 -0.188126D+01 -0.685251D+01 -0.424392D+01
      3  -0.869368D+00 -0.327492D+01  0.112295D+01  0.566085D+01  0.456243D+01
      4   0.193398D-01  0.328846D+01 -0.340047D+00 -0.350368D+01  0.342146D+01
      5   0.793404D+00  0.776408D+01 -0.355149D+00 -0.699084D+01  0.198246D+01
      6   0.365743D-01 -0.360601D+01  0.133097D+01  0.511231D+01  0.270557D+01
               326           327           328           329           330 
      1  -0.630759D+01 -0.708328D+01 -0.191026D+01 -0.128142D+01 -0.114430D+01
      2   0.643920D+01 -0.216597D+01  0.205758D+01 -0.107116D+01  0.562416D+00
      3  -0.131611D+00  0.924924D+01 -0.147312D+00  0.235258D+01  0.581880D+00
      4  -0.306887D+00  0.361812D+01  0.826160D-01  0.210622D+01  0.121551D+01
      5  -0.372541D-01  0.381301D+01  0.140509D+00  0.231329D+01  0.101678D+01
      6   0.546347D+01  0.856279D+01  0.242102D+01  0.191068D+01  0.462840D+01
               331           332           333 
      1  -0.244601D+01 -0.604853D+01 -0.147617D+02
      2  -0.135047D+01  0.238073D+01 -0.126516D+02
      3   0.379648D+01  0.366780D+01  0.274133D+02
      4   0.332127D+01 -0.656225D+00  0.319502D+01
      5   0.391187D+01 -0.135141D+00 -0.390086D+00
      6   0.187274D+01  0.738939D+01  0.200605D+02
 Leave Link  716 at Fri Jul  9 03:39:30 2021, MaxMem= 10737418240 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.153351D+03 -0.459435D-02 -0.466385D-01
      2  -0.459435D-02  0.152190D+03 -0.151776D-02
      3  -0.466385D-01 -0.151776D-02  0.124102D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.123820D+01  0.107079D+00  0.190326D+01
      2   0.622688D-01  0.299769D+01 -0.278950D-01
      3   0.254151D+01 -0.124293D+00 -0.498942D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.626280D+01 -0.969860D+02 -0.216219D+00
      2   0.638891D+01  0.103326D+03  0.198537D+00
      3  -0.126103D+00 -0.633997D+01  0.176821D-01
      4  -0.940439D+02  0.646307D+01 -0.493512D+01
      5  -0.185239D+00  0.169383D+01 -0.225551D+00
      6  -0.100062D+02  0.164239D+00 -0.961225D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.763355D+01  0.669950D+00  0.388573D+01 -0.123307D+01 -0.301928D+01
      2   0.669950D+00 -0.258678D+01  0.167132D-01 -0.301928D+01  0.502201D+00
      3   0.388573D+01  0.167132D-01  0.450541D+00 -0.760941D+00  0.217102D+01
                 6             7             8             9            10 
      1  -0.760941D+00  0.325117D+01 -0.224135D+00  0.622397D+00 -0.158430D+01
      2   0.217102D+01 -0.224135D+00  0.165570D+01  0.114560D+01  0.663848D+00
      3   0.968421D+00  0.622397D+00  0.114560D+01 -0.704480D+00 -0.236271D+01
                11            12            13            14            15 
      1   0.663848D+00 -0.236271D+01  0.208297D+01  0.528357D+01 -0.854534D+00
      2   0.395351D+01 -0.617420D-01  0.528357D+01  0.265696D+01 -0.347292D+01
      3  -0.617420D-01  0.824064D+00 -0.854534D+00 -0.347292D+01 -0.304555D+00
                16            17            18            19            20 
      1  -0.192441D+01 -0.494141D+00  0.112516D+01 -0.184588D+01 -0.350199D+01
      2  -0.494141D+00 -0.278082D+01 -0.203153D+00 -0.350199D+01 -0.578379D+01
      3   0.112516D+01 -0.203153D+00  0.783999D+00  0.319199D+01  0.222464D+01
                21            22            23            24            25 
      1   0.319199D+01 -0.160945D+01 -0.386089D+01  0.117745D+01  0.184603D+01
      2   0.222464D+01 -0.386089D+01 -0.245590D+01  0.252248D+01  0.108468D+01
      3  -0.118898D+01  0.117745D+01  0.252248D+01 -0.148669D+01 -0.997435D+00
                26            27            28            29            30 
      1   0.108468D+01 -0.997435D+00  0.174839D+00  0.158779D+01  0.126070D-01
      2   0.272308D+01 -0.169104D+01  0.158779D+01 -0.111114D+00 -0.159022D+01
      3  -0.169104D+01 -0.168257D+01  0.126070D-01 -0.159022D+01  0.299653D-01
                31            32            33            34            35 
      1   0.151953D+01 -0.110666D+00  0.188617D+01  0.299876D-01 -0.305707D-01
      2  -0.110666D+00 -0.196426D+01  0.125205D-01 -0.305707D-01  0.113388D-01
      3   0.188617D+01  0.125205D-01  0.185021D+00  0.336027D-01  0.106852D+00
                36            37            38            39            40 
      1   0.336027D-01  0.149064D+01 -0.315134D+01 -0.303803D+01 -0.133432D+01
      2   0.106852D+00 -0.315134D+01  0.597098D+01  0.224829D+01  0.396267D+01
      3   0.949008D-02 -0.303803D+01  0.224829D+01  0.112481D+01  0.119798D+01
                41            42            43            44            45 
      1   0.396267D+01  0.119798D+01 -0.175773D+01  0.103834D+01  0.916153D+00
      2  -0.309908D+01 -0.268956D+01  0.103834D+01 -0.283347D+01 -0.173005D+01
      3  -0.268956D+01 -0.153732D+01  0.916153D+00 -0.173005D+01  0.168305D+01
                46            47            48            49            50 
      1   0.173245D+01  0.187078D+00  0.232053D+01  0.153529D+01 -0.523431D+01
      2   0.187078D+00 -0.387794D+01 -0.684417D-02 -0.523431D+01  0.328610D+01
      3   0.232053D+01 -0.684417D-02 -0.841154D+00 -0.795544D+00  0.350925D+01
                51            52            53            54            55 
      1  -0.795544D+00  0.185899D+01 -0.448909D+00 -0.112725D+01 -0.758360D+01
      2   0.350925D+01 -0.448909D+00  0.283325D+01 -0.165301D+00  0.122826D+01
      3  -0.277428D+00 -0.112725D+01 -0.165301D+00 -0.793778D+00 -0.390481D+01
                56            57            58            59            60 
      1   0.122826D+01 -0.390481D+01 -0.624493D+00  0.301733D+01 -0.683358D+00
      2   0.252590D+01  0.831554D-01  0.301733D+01  0.147193D+00 -0.214183D+01
      3   0.831554D-01 -0.397964D+00 -0.683358D+00 -0.214183D+01  0.991503D+00
                61            62            63            64            65 
      1  -0.324659D+01 -0.160760D+00 -0.563395D+00  0.873816D+01 -0.125167D+01
      2  -0.160760D+00 -0.163183D+01  0.117403D+01 -0.125167D+01 -0.151209D+01
      3  -0.563395D+00  0.117403D+01  0.709317D+00  0.446872D+01 -0.543684D+00
                66            67            68            69            70 
      1   0.446872D+01 -0.394247D+01 -0.751168D+00 -0.169139D+01  0.361475D+01
      2  -0.543684D+00 -0.751168D+00 -0.331929D+00  0.162626D+01  0.115759D-01
      3   0.210994D+01 -0.169139D+01  0.162626D+01 -0.562490D+00  0.208225D+01
                71            72            73            74            75 
      1   0.115759D-01  0.208225D+01 -0.905750D+01 -0.783830D+00 -0.458625D+01
      2   0.112522D+01 -0.185842D+00 -0.783830D+00  0.155870D+01 -0.420406D+00
      3  -0.185842D+00 -0.163669D+01 -0.458625D+01 -0.420406D+00 -0.215125D+01
                76            77            78            79            80 
      1  -0.346034D+01  0.944411D+00 -0.155027D+01 -0.365828D+01  0.113457D+00
      2   0.944411D+00 -0.441789D+00 -0.153278D+01  0.113457D+00 -0.113948D+01
      3  -0.155027D+01 -0.153278D+01 -0.458057D+00 -0.211222D+01 -0.925777D-01
                81            82            83            84            85 
      1  -0.211222D+01 -0.527041D+00  0.154691D+01  0.923998D+00  0.234539D+01
      2  -0.925777D-01  0.154691D+01  0.158753D+01 -0.107051D+01  0.400863D+01
      3   0.161957D+01  0.923998D+00 -0.107051D+01  0.130272D+01 -0.170186D+01
                86            87            88            89            90 
      1   0.400863D+01 -0.170186D+01  0.345266D+00 -0.100085D+01  0.206024D+01
      2   0.734713D+01 -0.481800D+01 -0.100085D+01 -0.300993D+01  0.844814D+00
      3  -0.481800D+01  0.105650D+01  0.206024D+01  0.844814D+00  0.619158D+00
                91            92            93            94            95 
      1  -0.107433D+01 -0.416083D+00 -0.238179D+01 -0.690347D+00 -0.187134D+01
      2  -0.416083D+00 -0.641078D+00  0.526769D+00 -0.187134D+01 -0.357839D+01
      3  -0.238179D+01  0.526769D+00 -0.151565D+01  0.498714D+00  0.445136D+01
                96            97            98            99           100 
      1   0.498714D+00 -0.294220D+01  0.115838D+01 -0.203643D+01  0.107020D+02
      2   0.445136D+01  0.115838D+01  0.619769D+01 -0.180831D+01 -0.207458D+01
      3  -0.839748D+00 -0.203643D+01 -0.180831D+01  0.194098D+00  0.316139D+01
               101           102           103           104           105 
      1  -0.207458D+01  0.316139D+01  0.180203D+00  0.977541D+00  0.316703D+00
      2   0.138096D+01 -0.517155D+00  0.977541D+00 -0.773352D+00  0.675472D+00
      3  -0.517155D+00  0.213293D+01  0.316703D+00  0.675472D+00 -0.190704D+00
               106           107           108           109           110 
      1   0.298004D+01 -0.550189D+00  0.242010D+01 -0.486515D+00 -0.784727D+00
      2  -0.550189D+00  0.625342D+00 -0.728063D+00 -0.784727D+00 -0.144285D+01
      3   0.242010D+01 -0.728063D+00  0.157128D+01  0.977779D+00  0.533817D+00
               111           112           113           114           115 
      1   0.977779D+00 -0.101555D+01 -0.213680D+00  0.104425D+00  0.121906D+01
      2   0.533817D+00 -0.213680D+00 -0.437170D+01  0.209506D+01 -0.209565D+00
      3  -0.874135D+00  0.104425D+00  0.209506D+01 -0.215045D+01  0.105468D-01
               116           117           118           119           120 
      1  -0.209565D+00  0.105468D-01  0.352851D+01 -0.245631D+01 -0.117212D+01
      2   0.193060D+01 -0.174622D+01 -0.245631D+01  0.260273D+01  0.583347D+00
      3  -0.174622D+01  0.220551D+01 -0.117212D+01  0.583347D+00  0.106473D+01
               121           122           123           124           125 
      1  -0.387536D+01  0.444718D+01  0.136683D+01 -0.142572D+01  0.115811D+01
      2   0.444718D+01 -0.684640D+01 -0.239393D+01  0.115811D+01 -0.189635D+01
      3   0.136683D+01 -0.239393D+01 -0.168762D+01  0.162898D+01 -0.170911D+01
               126           127           128           129           130 
      1   0.162898D+01  0.308311D+01  0.971067D+00 -0.162133D+01  0.216691D+01
      2  -0.170911D+01  0.971067D+00  0.111555D+01 -0.449839D+00  0.137180D+01
      3  -0.135673D+01 -0.162133D+01 -0.449839D+00  0.153983D+01 -0.827474D+00
               131           132           133           134           135 
      1   0.137180D+01 -0.827474D+00 -0.197179D+01 -0.162215D+00  0.153024D+01
      2   0.202886D+01 -0.137618D+01 -0.162215D+00 -0.117258D+01  0.762948D+00
      3  -0.137618D+01  0.168246D+01  0.153024D+01  0.762948D+00 -0.208845D+01
               136           137           138           139           140 
      1  -0.393292D+01 -0.260086D+01  0.125926D+01 -0.409343D+01 -0.444711D+01
      2  -0.260086D+01 -0.266310D+01  0.634928D+00 -0.444711D+01 -0.634129D+01
      3   0.125926D+01  0.634928D+00 -0.113872D+01  0.141777D+01  0.230679D+01
               141           142           143           144           145 
      1   0.141777D+01  0.153613D+01  0.118139D+01 -0.170650D+01 -0.289900D+01
      2   0.230679D+01  0.118139D+01  0.179750D+01 -0.164054D+01  0.100586D+01
      3  -0.164051D+01 -0.170650D+01 -0.164054D+01  0.136357D+01  0.156760D+01
               146           147           148           149           150 
      1   0.100586D+01  0.156760D+01  0.220386D+01 -0.141850D+01 -0.835756D+00
      2  -0.111615D+01 -0.458379D+00 -0.141850D+01  0.213393D+01  0.142828D+01
      3  -0.458379D+00 -0.146108D+01 -0.835756D+00  0.142828D+01  0.174206D+01
               151           152           153           154           155 
      1   0.197377D+01 -0.189686D+00 -0.149397D+01 -0.108397D+02 -0.170996D+01
      2  -0.189686D+00  0.119060D+01  0.828424D+00 -0.170996D+01 -0.124754D+01
      3  -0.149397D+01  0.828424D+00  0.209037D+01 -0.316582D+01 -0.411548D+00
               156           157           158           159           160 
      1  -0.316582D+01  0.582028D+00 -0.934276D+00  0.427966D+00 -0.303501D+01
      2  -0.411548D+00 -0.934276D+00 -0.623506D+00 -0.671238D+00 -0.452084D+00
      3  -0.214011D+01  0.427966D+00 -0.671238D+00 -0.953525D-01 -0.245362D+01
               161           162           163           164           165 
      1  -0.452084D+00 -0.245362D+01  0.380267D+00 -0.737714D+00 -0.951826D+00
      2  -0.585774D+00 -0.624263D+00 -0.737714D+00  0.131772D+01  0.482470D+00
      3  -0.624263D+00 -0.157557D+01 -0.951826D+00  0.482470D+00  0.776763D+00
               166           167           168           169           170 
      1  -0.102727D+01  0.103056D+00  0.569146D-01 -0.124033D+01 -0.236970D+00
      2   0.103056D+00 -0.444929D+01 -0.211984D+01 -0.236970D+00 -0.191165D+01
      3   0.569146D-01 -0.211984D+01 -0.218355D+01 -0.851338D-01 -0.174350D+01
               171           172           173           174           175 
      1  -0.851338D-01 -0.229861D+01  0.168981D+01  0.122920D+00  0.353164D+01
      2  -0.174350D+01  0.168981D+01 -0.234129D+01  0.377233D+00 -0.141555D+01
      3  -0.220470D+01  0.122920D+00  0.377233D+00 -0.424840D+00  0.137457D+01
               176           177           178           179           180 
      1  -0.141555D+01  0.137457D+01  0.173646D+01  0.449600D+00  0.294029D+00
      2   0.326826D+01 -0.221470D+00  0.449600D+00  0.108429D+00  0.663357D+00
      3  -0.221470D+00  0.117556D+01  0.294029D+00  0.663357D+00 -0.181862D+00
               181           182           183           184           185 
      1   0.154171D+01  0.372545D+00  0.256746D+00 -0.865783D-01 -0.651090D+00
      2   0.372545D+00 -0.568599D+00  0.444675D-01 -0.651090D+00  0.109817D+00
      3   0.256746D+00  0.444675D-01  0.763583D+00  0.245518D-01 -0.778638D+00
               186           187           188           189           190 
      1   0.245518D-01 -0.187570D+01 -0.222657D+00 -0.130871D+01  0.149409D+01
      2  -0.778638D+00 -0.222657D+00 -0.105984D+01  0.655396D+00  0.194281D-02
      3   0.126072D+00 -0.130871D+01  0.655396D+00 -0.710532D+01 -0.662642D+00
               191           192           193           194           195 
      1   0.194281D-02 -0.662642D+00 -0.179946D+01  0.874776D+00 -0.694636D-01
      2   0.215249D+01 -0.104987D+01  0.874776D+00 -0.587282D+01  0.885327D+00
      3  -0.104987D+01  0.732524D+00 -0.694636D-01  0.885327D+00 -0.105054D+01
               196           197           198           199           200 
      1  -0.953486D+00 -0.935916D+00  0.669160D+00 -0.325789D+00  0.272066D+00
      2  -0.935916D+00 -0.793278D+00 -0.169764D+00  0.272066D+00  0.743760D+00
      3   0.669160D+00 -0.169764D+00  0.267879D+00  0.445436D+00 -0.391408D+00
               201           202           203           204           205 
      1   0.445436D+00  0.629863D+00  0.114983D+01 -0.487842D+00  0.144976D+01
      2  -0.391408D+00  0.114983D+01  0.261902D+00  0.901488D-01  0.483871D+00
      3   0.307413D+00 -0.487842D+00  0.901488D-01  0.633072D+00 -0.293048D+00
               206           207           208           209           210 
      1   0.483871D+00 -0.293048D+00 -0.158591D+01 -0.772943D-01  0.609989D+00
      2   0.140777D+01 -0.135610D+01 -0.772943D-01 -0.240623D+01 -0.111389D+01
      3  -0.135610D+01  0.698980D+01  0.609989D+00 -0.111389D+01 -0.777282D+00
               211           212           213           214           215 
      1  -0.181596D+01 -0.105050D+01 -0.133298D+00  0.874210D+00 -0.933515D+00
      2  -0.105050D+01 -0.568620D+01 -0.824873D+00 -0.933515D+00  0.882793D+00
      3  -0.133298D+00 -0.824873D+00 -0.101519D+01 -0.673953D+00 -0.140864D+00
               216           217           218           219           220 
      1  -0.673953D+00  0.370014D+00  0.173558D+00 -0.483188D+00  0.508536D+00
      2  -0.140864D+00  0.173558D+00 -0.751205D+00 -0.374368D+00 -0.116852D+01
      3  -0.263631D+00 -0.483188D+00 -0.374368D+00 -0.282316D+00 -0.469004D+00
               221           222           223           224           225 
      1  -0.116852D+01 -0.469004D+00 -0.140822D+01  0.485917D+00  0.229876D+00
      2   0.390351D+00 -0.543634D-01  0.485917D+00 -0.145482D+01 -0.137737D+01
      3  -0.543634D-01  0.636138D+00  0.229876D+00 -0.137737D+01 -0.698807D+01
               226           227           228           229           230 
      1   0.259115D+01  0.174523D+01 -0.505037D-01  0.355246D+01  0.128255D+01
      2   0.174523D+01  0.231252D+01  0.392275D+00  0.128255D+01  0.317994D+01
      3  -0.505037D-01  0.392275D+00  0.471421D+00  0.140502D+01  0.985881D-01
               231           232           233           234           235 
      1   0.140502D+01 -0.169600D+01  0.530731D+00 -0.269667D+00 -0.149864D+01
      2   0.985881D-01  0.530731D+00 -0.175920D+00  0.685183D+00  0.487805D+00
      3   0.117780D+01 -0.269667D+00  0.685183D+00  0.178275D+00 -0.249378D+00
               236           237           238           239           240 
      1   0.487805D+00 -0.249378D+00  0.329090D-01  0.636839D+00  0.670297D-01
      2   0.536579D+00  0.877680D-01  0.636839D+00  0.286883D-01  0.773835D+00
      3   0.877680D-01 -0.756453D+00  0.670297D-01  0.773835D+00  0.158026D+00
               241           242           243           244           245 
      1   0.185322D+01 -0.257315D+00  0.133544D+01  0.101407D+01 -0.357479D+00
      2  -0.257315D+00  0.108014D+01  0.597252D+00 -0.357479D+00  0.505937D+00
      3   0.133544D+01  0.597252D+00  0.710170D+01  0.241269D+01  0.213446D+00
               246           247           248           249           250 
      1   0.241269D+01 -0.568475D+00  0.177076D+01  0.204600D+00  0.302506D+01
      2   0.213446D+00  0.177076D+01 -0.373118D+01 -0.447817D+01  0.749926D+00
      3   0.147416D+01  0.204600D+00 -0.447817D+01 -0.898470D+00  0.195296D+01
               251           252           253           254           255 
      1   0.749926D+00  0.195296D+01  0.731061D+00  0.127930D+01 -0.103206D+01
      2  -0.630008D+01 -0.189969D+01  0.127930D+01 -0.142928D+01 -0.825195D+00
      3  -0.189969D+01 -0.196754D+00 -0.103206D+01 -0.825195D+00 -0.126519D+01
               256           257           258           259           260 
      1   0.199463D+01 -0.383666D+01 -0.144555D+01 -0.407201D+00 -0.858824D+00
      2  -0.383666D+01  0.776225D+01  0.494194D+01 -0.858824D+00  0.310898D+01
      3  -0.144555D+01  0.494194D+01  0.111890D+01 -0.203345D+01  0.939790D+00
               261           262           263           264           265 
      1  -0.203345D+01  0.535774D+01  0.621412D+00 -0.251830D+01 -0.474936D-01
      2   0.939790D+00  0.621412D+00  0.243684D+01 -0.550707D+00  0.158816D+00
      3  -0.609052D+00 -0.251830D+01 -0.550707D+00  0.198242D+01  0.448343D+00
               266           267           268           269           270 
      1   0.158816D+00  0.448343D+00 -0.163704D+01  0.237176D+00  0.113842D+01
      2  -0.121266D+01  0.682411D+00  0.237176D+00  0.455626D+00 -0.316566D-01
      3   0.682411D+00 -0.408007D+00  0.113842D+01 -0.316566D-01 -0.175329D+01
               271           272           273           274           275 
      1  -0.503404D+00 -0.569764D+00 -0.702116D+00  0.903268D-01 -0.911415D+00
      2  -0.569764D+00 -0.236359D+01  0.109605D+01 -0.911415D+00 -0.225571D+00
      3  -0.702116D+00  0.109605D+01 -0.203362D+01  0.442511D+00 -0.142202D+00
               276           277           278           279           280 
      1   0.442511D+00 -0.105003D+01 -0.637757D-01 -0.534569D+00  0.415773D+01
      2  -0.142202D+00 -0.637757D-01 -0.151683D+01  0.122334D+01  0.117188D+01
      3   0.468879D+00 -0.534569D+00  0.122334D+01 -0.558242D+01  0.163501D+01
               281           282           283           284           285 
      1   0.117188D+01  0.163501D+01  0.496463D+00  0.119753D+01  0.106425D+00
      2   0.209438D+01  0.401163D+00  0.119753D+01  0.850343D+00  0.311050D+00
      3   0.401163D+00  0.148430D+01  0.106425D+00  0.311050D+00  0.264474D+00
               286           287           288           289           290 
      1   0.262167D+01  0.487857D+00  0.174724D+01  0.969606D+00  0.168752D+01
      2   0.487857D+00  0.914012D+00  0.922343D+00  0.168752D+01  0.117729D+01
      3   0.174724D+01  0.922343D+00  0.217162D+01 -0.393927D+00 -0.539027D+00
               291           292           293           294           295 
      1  -0.393927D+00  0.151599D+01  0.170499D+01 -0.614046D+00 -0.460146D+00
      2  -0.539027D+00  0.170499D+01  0.908962D+01 -0.296439D+01 -0.130448D+01
      3   0.484402D+00 -0.614046D+00 -0.296439D+01  0.199463D+01  0.994982D+00
               296           297           298           299           300 
      1  -0.130448D+01  0.994982D+00 -0.757337D+00  0.161056D+01  0.349498D+00
      2  -0.508523D+01  0.311102D+01  0.161056D+01 -0.914063D+00 -0.420597D+00
      3   0.311102D+01 -0.254218D+01  0.349498D+00 -0.420597D+00 -0.393194D+00
               301           302           303           304           305 
      1   0.141331D+01 -0.143720D+01 -0.498274D+00  0.356353D+00 -0.109323D+01
      2  -0.143720D+01  0.926956D+01  0.300871D+01 -0.109323D+01  0.519732D+01
      3  -0.498274D+00  0.300871D+01  0.201322D+01 -0.855359D+00  0.315293D+01
               306           307           308           309           310 
      1  -0.855359D+00 -0.402520D+01  0.121894D+01 -0.160474D+01  0.576721D+00
      2   0.315293D+01  0.121894D+01 -0.211091D+01  0.473635D+00 -0.121105D+01
      3   0.254211D+01 -0.160474D+01  0.473635D+00 -0.146502D+01  0.172914D+00
               311           312           313           314           315 
      1  -0.121105D+01  0.172914D+00 -0.257138D+01  0.576608D+00 -0.169726D+01
      2   0.112100D+01 -0.311928D+00  0.576608D+00 -0.916365D+00  0.101373D+01
      3  -0.311928D+00  0.336886D+00 -0.169726D+01  0.101373D+01 -0.216518D+01
               316           317           318           319           320 
      1  -0.533289D+01  0.722981D+00  0.251000D+01  0.114102D+00 -0.265713D+00
      2   0.722981D+00 -0.250525D+01 -0.692190D+00 -0.265713D+00 -0.101323D+01
      3   0.251000D+01 -0.692190D+00 -0.200251D+01  0.307708D+00 -0.671397D+00
               321           322           323           324           325 
      1   0.307708D+00  0.164670D+01  0.126120D+00 -0.113982D+01  0.467828D+00
      2  -0.671397D+00  0.126120D+00 -0.495909D+00  0.191865D-01 -0.442728D+00
      3  -0.320861D+00 -0.113982D+01  0.191865D-01  0.175388D+01  0.769656D+00
               326           327           328           329           330 
      1  -0.442728D+00  0.769656D+00  0.150934D+00  0.916640D+00  0.414019D+00
      2   0.239944D+01  0.106742D+01  0.916640D+00 -0.415550D+00  0.732044D-01
      3   0.106742D+01  0.205296D+01  0.414019D+00  0.732044D-01  0.377914D+00
               331           332           333 
      1   0.104264D+01 -0.439556D-01  0.590025D+00
      2  -0.439556D-01  0.151472D+01  0.119722D+01
      3   0.590025D+00  0.119722D+01  0.557606D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.753417D+00  0.246864D+01 -0.261833D+01  0.396326D+01  0.607731D+01
      2   0.888186D+00 -0.965948D+00  0.911199D+01 -0.183647D+01 -0.122207D+02
      3  -0.444537D+01 -0.104697D+02 -0.183049D+01 -0.731120D+01  0.407636D+01
                 6             7             8             9            10 
      1  -0.225759D+01 -0.717644D+00 -0.501449D+00 -0.165497D+01 -0.466087D+01
      2  -0.353813D+01  0.274053D+01  0.405158D+00  0.142531D+01  0.113898D+02
      3   0.845849D+01 -0.914203D+00  0.956558D+01  0.371925D+01  0.576366D+01
                11            12            13            14            15 
      1   0.400546D+01  0.609985D-01  0.392716D+01 -0.108146D+01 -0.737471D+01
      2  -0.264179D+01  0.389574D+01 -0.442714D+01  0.295188D+00  0.580578D+01
      3   0.716836D+01  0.682822D+01  0.988193D+01 -0.523268D+01 -0.586335D+01
                16            17            18            19            20 
      1  -0.114694D+01 -0.148746D+01  0.160604D+00  0.378883D-01 -0.913032D+00
      2   0.160790D+01  0.142305D+01 -0.166645D+01 -0.156434D+02 -0.919671D+01
      3   0.787949D+01 -0.580473D+01 -0.358032D+01 -0.183144D+02 -0.157328D+02
                21            22            23            24            25 
      1   0.667686D+01  0.776376D+01  0.220486D+02 -0.550177D+01  0.141210D+02
      2   0.178563D+01 -0.337527D+01  0.379427D+01 -0.510944D+01 -0.124397D+02
      3   0.615011D+01  0.645658D+01  0.217545D+02 -0.734955D+01  0.315439D+01
                26            27            28            29            30 
      1   0.188639D+02 -0.216415D+02 -0.165771D+00 -0.301802D+01 -0.581735D-03
      2  -0.114053D+02  0.119983D+02 -0.253363D+01  0.142150D+00 -0.444861D+01
      3  -0.986209D+00 -0.200086D+00 -0.406927D-01  0.740645D+01 -0.139217D-01
                31            32            33            34            35 
      1  -0.920683D+00  0.187052D+00  0.570007D+01 -0.625065D-02 -0.974928D+01
      2  -0.312020D-01  0.314552D+00  0.132015D+00  0.107526D+02  0.175483D+00
      3  -0.962886D+01 -0.897982D-01  0.118153D+01  0.117630D+00  0.100417D+01
                36            37            38            39            40 
      1   0.130790D+00 -0.354311D+00 -0.149561D+01 -0.678560D+01  0.683204D+01
      2  -0.150616D+00 -0.149647D+02  0.100438D+02  0.232741D+01  0.398237D+01
      3  -0.101327D+00  0.177513D+02 -0.174544D+02 -0.647528D+01  0.454418D+01
                41            42            43            44            45 
      1  -0.221274D+02 -0.494123D+01 -0.138090D+02  0.199864D+02  0.221171D+02
      2   0.407949D+01  0.516338D+01 -0.112673D+02  0.109802D+02  0.109533D+02
      3  -0.211117D+02 -0.693961D+01 -0.324538D+01 -0.747351D+00  0.259858D+00
                46            47            48            49            50 
      1   0.552664D+01  0.395847D+01 -0.245928D+00  0.388413D+01  0.764629D+00
      2   0.114781D+02  0.198512D+01  0.363441D+01  0.372018D+01  0.221364D-01
      3  -0.498448D+01  0.763429D+01 -0.709050D+01  0.102492D+02  0.446428D+01
                51            52            53            54            55 
      1  -0.762330D+01  0.114194D+01 -0.164575D+01 -0.249497D+00 -0.485687D+00
      2  -0.565981D+01  0.142977D+01 -0.143446D+01 -0.170848D+01  0.101438D+01
      3  -0.556558D+01 -0.806953D+01 -0.556048D+01  0.361165D+01  0.373037D+01
                56            57            58            59            60 
      1   0.224335D+01  0.290043D+01  0.373496D+01 -0.684604D+01 -0.223910D+01
      2   0.297582D+00  0.913813D+01  0.107794D+01 -0.120008D+02  0.324146D+01
      3  -0.108079D+02  0.222309D+01 -0.756826D+01 -0.335888D+01  0.837815D+01
                61            62            63            64            65 
      1   0.771325D+00 -0.538341D+00  0.170664D+01 -0.506310D+01 -0.999022D+01
      2   0.266013D+01 -0.470379D+00  0.135204D+01  0.207177D+02 -0.182332D+01
      3   0.137720D+01  0.948102D+01 -0.372759D+01  0.791851D+01  0.892052D+01
                66            67            68            69            70 
      1  -0.398365D+01 -0.190853D+02  0.347058D+01 -0.835562D+01 -0.205171D+01
      2   0.120802D+01  0.406185D+01  0.542855D+01  0.471156D+01 -0.280597D+02
      3   0.309902D+01  0.299678D+02 -0.394003D+01  0.921671D+01 -0.945954D+00
                71            72            73            74            75 
      1   0.233888D+01  0.316347D+00  0.475047D+01 -0.102035D+02  0.370092D+01
      2   0.332966D+01 -0.254882D+02  0.203181D+02  0.165100D+01  0.780424D+00
      3   0.379511D+01 -0.360113D-01 -0.632155D+01  0.932888D+01 -0.275200D+01
                76            77            78            79            80 
      1  -0.195360D+02 -0.205715D+01 -0.867043D+01  0.999575D+00  0.215965D+01
      2  -0.380573D+01  0.569954D+01 -0.439281D+01 -0.282952D+02 -0.226348D+01
      3   0.303505D+02  0.240194D+01  0.927001D+01  0.989949D+00  0.368996D+01
                81            82            83            84            85 
      1  -0.140999D+01 -0.398251D+01  0.307143D+01  0.175167D+01  0.338958D+01
      2  -0.254510D+02 -0.149651D+02 -0.145247D+02  0.133954D+02 -0.477251D+01
      3   0.418207D-01 -0.196778D+02 -0.226812D+02  0.142556D+02 -0.121757D+01
                86            87            88            89            90 
      1   0.173415D+02  0.207646D+01  0.893469D+01  0.245239D+02 -0.143088D+02
      2   0.810517D+00 -0.463777D+01 -0.377610D+01 -0.147369D+02  0.119080D+02
      3   0.143275D+02 -0.174387D+01  0.664851D+01 -0.175184D+01  0.321439D+01
                91            92            93            94            95 
      1   0.842505D+01  0.315000D+01  0.637028D+01  0.399846D+01 -0.113783D+02
      2  -0.214532D+01  0.850234D+00 -0.933334D-01 -0.475279D-01  0.260278D+01
      3  -0.579038D+01 -0.118919D+01 -0.665125D+01  0.432356D+01 -0.694805D+00
                96            97            98            99           100 
      1  -0.481406D+01  0.453072D+01 -0.353997D+01  0.186229D+01  0.133908D+01
      2  -0.410817D+00 -0.333627D+01  0.564497D+00 -0.283702D+00 -0.294990D+01
      3  -0.677420D+01 -0.111111D+02 -0.760458D+01 -0.529221D+01 -0.867102D+01
               101           102           103           104           105 
      1   0.188055D+01  0.307824D+01 -0.382701D+00  0.118414D+01 -0.107926D+01
      2   0.149065D+01  0.500486D+01 -0.204016D+01  0.184254D+01 -0.147001D+01
      3  -0.386757D+01 -0.356437D+01 -0.464597D+00 -0.580846D+00 -0.164168D+01
               106           107           108           109           110 
      1   0.209620D+01  0.102341D+01  0.134139D+01  0.141707D+01 -0.143528D+01
      2   0.200937D+01 -0.501449D+00  0.235936D+01  0.490984D+01  0.230063D+01
      3  -0.154034D+01 -0.267489D+01 -0.105993D+01  0.515009D+01  0.557222D+01
               111           112           113           114           115 
      1  -0.191686D+01 -0.344929D+00 -0.142371D+01 -0.302463D+01 -0.321720D+00
      2  -0.357396D+01  0.153007D+01  0.647962D+01 -0.619805D+01 -0.327916D+01
      3  -0.358923D+01  0.496581D+01  0.126308D+02 -0.631454D+01 -0.199828D+01
               116           117           118           119           120 
      1   0.150982D+00  0.222409D+01 -0.731357D+00 -0.217299D+00  0.210942D+01
      2  -0.485541D+01  0.595297D+01 -0.113248D+01  0.815033D+00  0.370864D+01
      3  -0.537690D+01  0.562976D+01  0.490613D+00 -0.394896D+01 -0.115953D+00
               121           122           123           124           125 
      1  -0.249052D+01  0.266918D+01 -0.257320D+01  0.123468D+01 -0.397784D+00
      2  -0.277652D+01 -0.766172D+00 -0.379478D+01  0.853494D+00 -0.278977D+01
      3  -0.586586D+00  0.929491D+01  0.388395D+01  0.159286D+01  0.253329D+01
               126           127           128           129           130 
      1  -0.138365D+01 -0.425127D+01 -0.172634D+01  0.270738D+01 -0.263511D+01
      2  -0.207426D+01 -0.215024D+01  0.251285D+00  0.375535D+01  0.928139D+00
      3   0.103743D+01 -0.740323D+01 -0.613291D+01  0.423624D+01 -0.640631D+01
               131           132           133           134           135 
      1  -0.587620D+01  0.367429D+01  0.264131D+01  0.435341D+01 -0.412855D+01
      2  -0.339252D+01  0.550790D+01  0.123682D+01  0.256319D+01 -0.470403D+01
      3  -0.112506D+02  0.586620D+01  0.391677D+01  0.437641D+01 -0.562555D+01
               136           137           138           139           140 
      1   0.561225D+00 -0.379683D+00 -0.204769D+01 -0.250652D+01 -0.258629D+01
      2  -0.105410D+01 -0.797845D+00  0.396605D+01  0.288355D+01 -0.741445D+00
      3  -0.678481D+00 -0.431072D+01  0.290990D+00 -0.977910D+00 -0.908572D+01
               141           142           143           144           145 
      1  -0.231746D+01 -0.119934D+01 -0.224797D+00  0.130717D+01  0.399982D+01
      2   0.373462D+01  0.101770D+01  0.275822D+01 -0.215199D+01 -0.241949D+01
      3   0.387347D+01 -0.147673D+01  0.258413D+01 -0.104462D+01  0.692602D+01
               146           147           148           149           150 
      1  -0.166872D+01 -0.237985D+01 -0.258392D+01  0.576601D+01  0.352494D+01
      2  -0.263603D+00  0.360275D+01 -0.921951D+00 -0.357058D+01 -0.580643D+01
      3  -0.598591D+01 -0.397616D+01 -0.621972D+01  0.115004D+02  0.603538D+01
               151           152           153           154           155 
      1  -0.238060D+01  0.435646D+01  0.391430D+01 -0.140168D+01  0.182266D+01
      2   0.118768D+01 -0.282738D+01 -0.490124D+01 -0.284166D+01 -0.135660D+01
      3  -0.370959D+01  0.456179D+01  0.562472D+01  0.845807D+01 -0.419851D+01
               156           157           158           159           160 
      1  -0.290266D+01 -0.307707D+00 -0.120045D+01 -0.890016D+00 -0.194524D+01
      2   0.519760D+01  0.228568D+01  0.188600D+01  0.128666D+01  0.210389D+01
      3   0.348527D+01 -0.770080D+00  0.843001D+00 -0.179402D+01  0.140137D+01
               161           162           163           164           165 
      1   0.113945D+01 -0.124324D+01 -0.128222D+01 -0.140847D+01  0.163529D+01
      2   0.354238D+00  0.242927D+01  0.482082D+01 -0.216720D+01 -0.337022D+01
      3  -0.275107D+01  0.106201D+01 -0.472342D+01  0.524561D+01  0.331485D+01
               166           167           168           169           170 
      1  -0.281395D+00  0.178574D+01 -0.282970D+01  0.194409D+00  0.351526D+00
      2  -0.146772D+01  0.658307D+01  0.647383D+01 -0.308729D+01  0.498340D+01
      3   0.466618D+01 -0.130944D+02 -0.647305D+01  0.177629D+01 -0.546628D+01
               171           172           173           174           175 
      1  -0.197046D+01 -0.195303D+01  0.290549D+01 -0.771057D-01  0.467343D+01
      2   0.603985D+01 -0.141358D+01  0.180597D+01  0.200432D+01  0.562133D+01
      3  -0.562697D+01  0.250527D+01 -0.496348D+01  0.209052D+00 -0.456334D+01
               176           177           178           179           180 
      1  -0.682433D+01  0.548789D+00  0.185029D+01 -0.484107D+00 -0.104596D+00
      2  -0.148274D+01  0.311740D+00  0.367108D+01 -0.114625D+01  0.784517D+00
      3   0.940019D+01 -0.182059D+01 -0.135624D+01  0.185559D+01  0.205378D+00
               181           182           183           184           185 
      1  -0.198938D+01 -0.843489D+00 -0.928558D+00 -0.193074D+00 -0.602617D+00
      2  -0.685545D+00  0.640581D+00 -0.386652D+01 -0.689826D+00  0.194439D+01
      3   0.150789D+01  0.544224D-01  0.446163D+00  0.925131D+00  0.543234D+00
               186           187           188           189           190 
      1   0.679160D+00  0.927868D+00  0.272429D+01 -0.599370D+00  0.852479D+00
      2  -0.458192D+00  0.336865D+00 -0.222718D+01  0.157018D+02 -0.289891D+01
      3  -0.158404D+01 -0.123052D+01 -0.232562D+01  0.164355D+01 -0.348031D+01
               191           192           193           194           195 
      1   0.516760D+01 -0.118295D+01  0.117664D+01 -0.708025D+01 -0.115086D+01
      2   0.209267D+01  0.794389D-01  0.262597D+01 -0.323405D+01  0.133792D+01
      3   0.514371D+01 -0.181286D+01  0.536146D+01 -0.888227D+01  0.143701D+01
               196           197           198           199           200 
      1  -0.817186D+00 -0.367804D+01  0.161161D+00  0.105467D+00 -0.181588D+01
      2  -0.265344D+00  0.523145D+00 -0.521174D+00 -0.164578D+01  0.520600D+00
      3   0.602795D+00 -0.185819D+01 -0.419956D+00 -0.118421D+01 -0.122364D+01
               201           202           203           204           205 
      1   0.156133D+01 -0.134094D+01 -0.570151D+00  0.326137D+01 -0.350455D+00
      2  -0.117019D+01 -0.553506D+00 -0.939935D+00 -0.788850D+00 -0.292422D+01
      3  -0.108121D+01 -0.298303D+00 -0.886638D+00  0.130109D+01 -0.261993D+01
               206           207           208           209           210 
      1  -0.927444D+00  0.128374D+02 -0.685856D+00  0.541562D+01  0.111776D+01
      2   0.135451D+01 -0.904361D+01 -0.310404D+01 -0.233870D+01 -0.163805D-01
      3   0.171242D+00 -0.139364D+01  0.400582D+01  0.534264D+01  0.186466D+01
               211           212           213           214           215 
      1   0.139955D+01  0.664451D+01 -0.126540D+01  0.642794D+00 -0.375001D+01
      2  -0.268831D+01 -0.331525D+01 -0.128160D+01 -0.297017D+00 -0.340731D+00
      3   0.557984D+01  0.841620D+01  0.134355D+01 -0.702125D+00 -0.183352D+01
               216           217           218           219           220 
      1  -0.181473D+00 -0.320369D+00 -0.180166D+01 -0.147083D+01 -0.126703D+01
      2  -0.515399D+00 -0.163593D+01 -0.410760D+00 -0.107510D+01  0.648198D+00
      3   0.417251D+00  0.111822D+01 -0.122390D+01  0.114313D+01 -0.312976D+00
               221           222           223           224           225 
      1   0.665454D+00  0.333535D+01  0.176998D+00 -0.101867D+01 -0.132137D+02
      2  -0.981704D+00  0.682588D+00 -0.298319D+01 -0.119564D+01 -0.846854D+01
      3   0.959004D+00  0.125075D+01  0.262405D+01  0.696520D-01  0.141128D+01
               226           227           228           229           230 
      1   0.218065D+01  0.299853D+01  0.159216D+00  0.450862D+01  0.679766D+01
      2  -0.181370D+01 -0.196425D+01  0.200470D+01 -0.577572D+01 -0.154323D+01
      3  -0.287188D+01 -0.520895D+01 -0.251216D+00 -0.468430D+01 -0.954723D+01
               231           232           233           234           235 
      1   0.389080D+00 -0.169704D+01 -0.406105D+00  0.148410D+00  0.189278D+01
      2  -0.373228D+00  0.379427D+01  0.102171D+01  0.781824D+00 -0.752548D+00
      3  -0.159404D+01  0.141309D+01  0.191310D+01 -0.239345D+00 -0.145133D+01
               236           237           238           239           240 
      1  -0.914258D+00  0.787497D+00 -0.214227D+00  0.723529D+00  0.665819D+00
      2  -0.481381D+00 -0.387644D+01  0.822313D+00  0.190976D+01  0.594176D+00
      3   0.968538D-01 -0.508744D+00  0.963961D+00 -0.580437D+00 -0.156638D+01
               241           242           243           244           245 
      1  -0.793510D+00  0.284633D+01  0.126833D+01 -0.813279D+01  0.402222D+01
      2   0.481501D+00  0.208495D+01  0.156557D+02 -0.180926D+01 -0.814129D+00
      3   0.113335D+01 -0.237906D+01 -0.163384D+01  0.591344D+01 -0.145923D+01
               246           247           248           249           250 
      1  -0.655991D+01  0.480143D+01  0.110720D+02 -0.452925D+01 -0.481598D+01
      2   0.215969D+00  0.303180D-01  0.213055D+01  0.601869D+00 -0.315497D+01
      3   0.632261D+01  0.414594D+01  0.731534D+00 -0.698772D+01  0.107607D+02
               251           252           253           254           255 
      1  -0.329961D+01 -0.185785D+01  0.357934D+01  0.284857D+01 -0.976584D+00
      2  -0.248133D+00 -0.187137D+00 -0.142379D+02  0.151284D+02  0.136555D+02
      3  -0.815099D+01  0.527320D+01  0.184934D+02 -0.242764D+02 -0.143226D+02
               256           257           258           259           260 
      1   0.268082D+01 -0.176907D+02  0.224784D+01 -0.790629D+01  0.255095D+02
      2   0.527800D+01  0.631888D+00  0.386090D+01 -0.279072D+01  0.136969D+02
      3  -0.261796D+01 -0.132315D+02 -0.106985D+01 -0.667956D+01 -0.147619D+01
               261           262           263           264           265 
      1   0.147418D+02  0.527358D+01 -0.307263D+01 -0.385014D+01 -0.179805D+01
      2   0.112074D+02  0.715226D+01  0.717759D+00 -0.151706D+01 -0.253437D+01
      3  -0.323885D+01  0.123303D+02 -0.265984D+01 -0.554107D+01 -0.363732D+01
               266           267           268           269           270 
      1   0.257261D+01  0.143402D+00 -0.306304D+01  0.147234D+01  0.263551D+01
      2  -0.124124D+01  0.949268D+00 -0.735811D+00  0.209125D+00  0.456449D+00
      3   0.151136D+01  0.196875D+01 -0.231172D+01  0.222081D+00  0.297983D+01
               271           272           273           274           275 
      1   0.992523D+00  0.197037D+00  0.408256D+01 -0.716296D+00  0.412439D-01
      2  -0.113876D+01  0.354129D+01 -0.508936D+01  0.152061D+01  0.100355D+01
      3  -0.381754D+00  0.292851D+01 -0.324780D+01  0.201781D+01  0.130153D+01
               276           277           278           279           280 
      1  -0.268891D+00  0.818842D+00  0.361408D+00  0.909170D+01 -0.665238D+01
      2  -0.441787D+00 -0.267190D+01  0.214767D+01 -0.791007D+01  0.246912D+01
      3   0.122924D+00 -0.124165D+01  0.209665D+01 -0.241808D+01  0.138824D+02
               281           282           283           284           285 
      1  -0.123770D+01 -0.542608D+01 -0.412396D+00 -0.109139D+01 -0.910463D+00
      2   0.537256D+00  0.357483D+01  0.992785D-01  0.522995D+00  0.918627D-01
      3  -0.851960D+00  0.575913D+01 -0.816966D-01  0.454418D+01 -0.289556D+00
               286           287           288           289           290 
      1  -0.618764D+01 -0.837903D+00 -0.855071D+01  0.744845D-01  0.319990D+00
      2   0.128891D+01  0.131066D+01  0.333510D+01  0.209747D+00  0.329691D+00
      3   0.937827D+01 -0.420396D+00  0.494891D+01  0.192278D+01  0.344307D+01
               291           292           293           294           295 
      1  -0.167701D+01  0.181027D+01  0.405560D+01 -0.710259D+01 -0.148673D+01
      2   0.752601D+00  0.264025D+00 -0.164758D+01  0.165338D+01 -0.861066D+00
      3  -0.975154D+00  0.516768D+01 -0.257057D+01  0.226120D-01 -0.975222D+00
               296           297           298           299           300 
      1  -0.185501D+01  0.683015D+01  0.222744D-02  0.103377D+00  0.137610D+01
      2   0.150712D+01 -0.171123D+01  0.175462D+00 -0.415823D+00  0.614243D+00
      3   0.352191D+01  0.281105D+00 -0.152439D+01  0.364002D+01  0.990793D+00
               301           302           303           304           305 
      1   0.161766D+01 -0.422052D+01 -0.723712D+01  0.135816D+01 -0.199755D+01
      2  -0.413684D+00 -0.142758D+01 -0.136466D+01 -0.988239D+00 -0.138659D+01
      3   0.534303D+01  0.215108D+01 -0.302151D-01  0.114459D+01  0.349343D+01
               306           307           308           309           310 
      1  -0.690805D+01  0.663102D+01 -0.162669D+01  0.548897D+01 -0.720228D+00
      2  -0.140974D+01  0.213539D+01 -0.584461D+00  0.331473D+01 -0.165825D+00
      3  -0.274043D+00 -0.138557D+02 -0.245906D+00 -0.570008D+01  0.422432D+00
               311           312           313           314           315 
      1   0.100446D+01 -0.121688D+01  0.614054D+01 -0.128744D+01  0.864147D+01
      2   0.463020D+00 -0.209256D+00  0.945604D+00 -0.133126D+01  0.294125D+01
      3  -0.424185D+01  0.643259D-01 -0.932869D+01  0.188219D+00 -0.487901D+01
               316           317           318           319           320 
      1  -0.522120D+01 -0.289659D+01  0.378221D+01 -0.166169D+01 -0.226402D+01
      2   0.752484D+01 -0.936160D+00 -0.171770D+01  0.235875D+01 -0.118215D+01
      3  -0.126716D+02 -0.197663D+01  0.563196D+01 -0.326678D+01 -0.927452D+00
               321           322           323           324           325 
      1  -0.654849D-01  0.303401D+01  0.125187D+01 -0.261771D+01 -0.106144D+01
      2  -0.875674D+00 -0.862430D+00 -0.195199D+00  0.570193D+00 -0.129275D+01
      3   0.173205D+01  0.223848D+01  0.137817D-01 -0.297741D+01  0.606041D+00
               326           327           328           329           330 
      1   0.860714D-01 -0.431680D+01 -0.738080D+00  0.501656D-01 -0.533110D-01
      2  -0.345938D+01 -0.486813D+01 -0.141514D+01  0.124318D+01  0.670391D+00
      3   0.285551D+01  0.324998D+01  0.194912D+01 -0.154718D+01 -0.282467D-01
               331           332           333 
      1  -0.921245D+00  0.301776D+00 -0.941337D+01
      2  -0.271081D+01 -0.203467D+01 -0.748256D+01
      3   0.130702D+01  0.203118D+01  0.240737D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.410178D+02 -0.663551D+01 -0.237398D+02 -0.111274D+01  0.188101D+02
      2   0.263651D+02  0.860932D+01  0.132771D+02  0.539958D+01 -0.952507D+01
      3   0.146527D+02 -0.197381D+01  0.104627D+02 -0.428684D+01 -0.928504D+01
      4  -0.157029D+02  0.938414D+01 -0.806982D+01  0.125035D+02  0.651313D+01
      5  -0.264617D+02 -0.177898D+01 -0.533174D+01  0.406397D+01 -0.802508D+01
      6  -0.718131D+01  0.584418D+01  0.998517D-01  0.450361D+01 -0.881068D+01
                 6             7             8             9            10 
      1   0.756749D+01 -0.194654D+02  0.550429D+01 -0.528090D+00  0.118173D+02
      2  -0.965246D+01  0.111090D+02 -0.775809D+01 -0.357157D+01 -0.749552D+01
      3   0.208497D+01  0.835631D+01  0.225380D+01  0.409966D+01 -0.432176D+01
      4  -0.787564D+01 -0.492241D+01 -0.655869D+01 -0.388533D+01  0.723580D+00
      5  -0.448135D+01 -0.633448D+01 -0.354442D+01  0.475701D+01  0.103485D+02
      6  -0.942737D+01  0.941192D-01 -0.743280D+01  0.884784D+00  0.811412D+01
                11            12            13            14            15 
      1   0.311456D+01  0.133564D+02  0.109952D+01 -0.163944D+02 -0.312340D+01
      2  -0.112429D+02 -0.540708D+01 -0.115971D+02  0.382471D+01  0.101195D+02
      3   0.812831D+01 -0.794929D+01  0.104976D+02  0.125697D+02 -0.699611D+01
      4  -0.212707D+02  0.650323D+01 -0.267267D+02 -0.232283D+02  0.180550D+02
      5  -0.449848D+00 -0.907241D+01  0.142353D+01  0.206735D+02  0.406259D+01
      6   0.453992D+01 -0.673894D+00  0.998418D+01  0.117232D+02 -0.296784D+01
                16            17            18            19            20 
      1   0.102204D+02 -0.399481D+01 -0.539633D+01 -0.108822D+01  0.198160D+01
      2  -0.339052D+01  0.932936D+01  0.223877D+01 -0.339747D+01  0.253051D+01
      3  -0.682988D+01 -0.533455D+01  0.315756D+01  0.448569D+01 -0.451211D+01
      4   0.526677D+01  0.141118D+02  0.794440D+00  0.485951D+01  0.126217D+02
      5  -0.795818D+01  0.233341D+01 -0.405484D+01 -0.333073D+01 -0.220283D+01
      6  -0.142910D+01 -0.401408D+01 -0.377771D+01 -0.765103D+01 -0.605768D+01
                21            22            23            24            25 
      1  -0.675838D+01 -0.184969D+01  0.134576D+02 -0.180343D+00 -0.189322D+01
      2   0.429918D+01  0.442782D+01 -0.165774D+02  0.196662D+01  0.190968D+01
      3   0.245920D+01 -0.257813D+01  0.311977D+01 -0.178627D+01 -0.164578D-01
      4  -0.855442D+01  0.815153D+01  0.801774D+01 -0.477525D+01 -0.480095D+01
      5   0.491527D+01 -0.954018D+00 -0.656041D+01  0.255022D+01  0.512494D+01
      6   0.190990D+01 -0.642184D+01 -0.732350D+00  0.564711D+01  0.785891D+00
                26            27            28            29            30 
      1  -0.783316D+00  0.937728D+01 -0.105414D+02  0.328669D-01  0.517905D+01
      2   0.652089D+00  0.472660D+01  0.254065D+01 -0.513657D-01 -0.634776D+01
      3   0.131228D+00 -0.141039D+02  0.800070D+01  0.184988D-01  0.116871D+01
      4  -0.214083D+01  0.138720D+01 -0.469390D-01 -0.585260D+01 -0.412349D+00
      5   0.458121D+00  0.545628D+01  0.355718D+01 -0.268723D+00 -0.282616D+01
      6   0.403585D+01  0.520356D+01 -0.283759D+00 -0.405959D+01 -0.115703D-02
                31            32            33            34            35 
      1  -0.419638D-01  0.255465D+01 -0.410071D+00  0.841387D+01 -0.593063D+00
      2   0.495937D-01 -0.963889D+01  0.468203D+00 -0.909477D+01  0.601908D+00
      3  -0.762990D-02  0.708424D+01 -0.581313D-01  0.680897D+00 -0.884510D-02
      4  -0.681314D+01  0.282253D-01 -0.665473D+01 -0.667899D+00 -0.923368D+01
      5  -0.245543D+00 -0.425345D+01  0.654666D-02  0.433838D+01 -0.103091D-02
      6  -0.398239D+01  0.244439D+00 -0.269954D+01 -0.100866D-03  0.345849D+01
                36            37            38            39            40 
      1   0.311029D+00 -0.140947D+01 -0.301896D+00 -0.598368D+01  0.318411D+01
      2   0.436994D+00 -0.334910D+01 -0.417309D+01  0.346811D+01 -0.568896D+01
      3  -0.748023D+00  0.475857D+01  0.447499D+01  0.251558D+01  0.250485D+01
      4  -0.970506D-02 -0.409001D+01  0.123370D+02  0.877849D+01  0.759601D+01
      5   0.793568D+00 -0.289986D+01  0.178123D+01  0.472030D+01  0.482642D+00
      6  -0.570455D-01  0.721957D+01 -0.640115D+01 -0.188285D+01 -0.671232D+01
                41            42            43            44            45 
      1   0.126020D+02  0.174058D-01 -0.142908D+01  0.664443D+00  0.925980D+01
      2  -0.154286D+02 -0.165286D+01  0.147391D+01 -0.493407D+00  0.483520D+01
      3   0.282662D+01  0.163545D+01 -0.448304D-01 -0.171035D+00 -0.140950D+02
      4  -0.102500D+02 -0.523823D+01  0.484790D+01 -0.238797D+01 -0.156561D+01
      5  -0.662444D+01 -0.247913D+01  0.505188D+01 -0.469375D+00  0.522397D+01
      6   0.164601D+01  0.585027D+01 -0.830888D+00  0.407874D+01 -0.547219D+01
                46            47            48            49            50 
      1   0.114840D+02 -0.609374D+01  0.129133D+02 -0.454471D+01 -0.138191D+02
      2  -0.633307D+01  0.134492D+02 -0.531381D+01  0.142609D+02  0.508180D+00
      3  -0.515089D+01 -0.735544D+01 -0.759947D+01 -0.971623D+01  0.133109D+02
      4  -0.356734D+01 -0.194759D+02 -0.650239D+01 -0.247851D+02  0.260201D+02
      5   0.992994D+01  0.113489D+01 -0.922735D+01 -0.481260D+00  0.201021D+02
      6  -0.790341D+01  0.432894D+01  0.955249D+00  0.978755D+01 -0.132380D+02
                51            52            53            54            55 
      1   0.412633D+01  0.983125D+01  0.477950D+01 -0.546996D+01 -0.390462D+02
      2  -0.114747D+02 -0.332239D+01 -0.103875D+02  0.231378D+01  0.241729D+02
      3   0.734839D+01 -0.650885D+01  0.560796D+01  0.315618D+01  0.148733D+02
      4   0.176901D+02 -0.519752D+01  0.137486D+02 -0.500453D+00  0.193324D+02
      5  -0.384045D+01 -0.793382D+01 -0.222229D+01 -0.393437D+01 -0.261201D+02
      6  -0.281450D+01  0.159726D+01 -0.397741D+01  0.399634D+01  0.870980D+01
                56            57            58            59            60 
      1   0.985674D+01 -0.232945D+02  0.469196D+01  0.176277D+02 -0.720877D+01
      2  -0.108018D+02  0.129520D+02 -0.787705D+01 -0.817111D+01  0.973020D+01
      3   0.945041D+00  0.103424D+02  0.318509D+01 -0.945663D+01 -0.252143D+01
      4   0.757109D+01  0.925665D+01  0.108992D+02 -0.843341D+01 -0.751581D+01
      5   0.276877D+01 -0.510413D+01 -0.305074D+01 -0.759700D+01  0.432829D+01
      6   0.582133D+01 -0.335106D+00  0.465497D+01  0.872444D+01 -0.962541D+01
                61            62            63            64            65 
      1  -0.191654D+02 -0.524572D+01 -0.149561D+00  0.965096D+01 -0.548101D+01
      2   0.109424D+02  0.783370D+01 -0.395016D+01 -0.947936D+01  0.509027D+01
      3   0.822299D+01 -0.258798D+01  0.409973D+01 -0.171599D+00  0.390739D+00
      4   0.589205D+01 -0.618874D+01  0.373897D+01 -0.172202D+02 -0.639110D+01
      5  -0.613840D+01  0.350173D+01  0.474007D+01  0.106372D+02 -0.465595D+01
      6  -0.168765D+00 -0.760557D+01 -0.108503D+01 -0.306098D+01 -0.452546D+01
                66            67            68            69            70 
      1   0.611960D+01 -0.930432D+01 -0.943571D+01 -0.330799D+01  0.375441D+01
      2  -0.621338D+01  0.688593D+01  0.191416D+01  0.130978D+01 -0.326492D+01
      3   0.937798D-01  0.241839D+01  0.752154D+01  0.199821D+01 -0.489491D+00
      4  -0.772405D+01 -0.954251D+00 -0.292264D+01  0.654992D+01 -0.377986D+01
      5   0.780681D+01 -0.511726D+01  0.194132D+01 -0.113679D+01  0.506524D+01
      6  -0.126433D+01 -0.268197D+01 -0.161187D+01  0.355373D+01 -0.976574D+00
                71            72            73            74            75 
      1  -0.127205D+01  0.795442D+01  0.118221D+02  0.409649D+01  0.698296D+01
      2   0.246304D+01  0.712020D+01 -0.114949D+02 -0.401270D+01 -0.696663D+01
      3  -0.119100D+01 -0.150746D+02 -0.327200D+00 -0.837899D-01 -0.163245D-01
      4   0.262128D+01 -0.389048D+01  0.160724D+02 -0.730381D+01  0.747841D+01
      5  -0.155636D+01 -0.746436D+01  0.112757D+02  0.409888D+01  0.796275D+01
      6   0.405479D+01  0.878774D+00  0.231441D+01 -0.473107D+01  0.110028D+01
                76            77            78            79            80 
      1   0.827550D+01 -0.983343D+01  0.354572D+01  0.423401D+01  0.133055D+01
      2  -0.618252D+01  0.222172D+01 -0.152180D+01 -0.375625D+01 -0.251100D+01
      3  -0.209298D+01  0.761172D+01 -0.202392D+01 -0.477758D+00  0.118045D+01
      4  -0.226944D+01  0.374572D+01  0.600208D+01  0.362658D+01  0.234101D+01
      5   0.457648D+01  0.156566D+01  0.919301D+00  0.527904D+01  0.150225D+01
      6  -0.293761D+01  0.187260D+01  0.347348D+01  0.956732D+00  0.396465D+01
                81            82            83            84            85 
      1   0.833981D+01 -0.661920D+01 -0.286471D+01  0.984537D+01 -0.559870D+01
      2   0.675826D+01  0.956661D+01  0.304903D+01 -0.273279D+01  0.894928D+01
      3  -0.150981D+02 -0.294741D+01 -0.184326D+00 -0.711258D+01 -0.335058D+01
      4   0.386337D+01 -0.608670D+01  0.250067D+01  0.526875D+01  0.245358D+01
      5  -0.746840D+01  0.891512D+01 -0.130636D+01 -0.185207D+01 -0.144496D+01
      6  -0.551232D+00  0.531563D+01 -0.425303D+01  0.481062D+01 -0.320289D+01
                86            87            88            89            90 
      1  -0.150898D+02  0.822216D+01  0.673314D+01  0.453948D+01  0.311206D+01
      2   0.142776D+02 -0.159677D+02  0.160137D+00 -0.869723D+01  0.405272D+01
      3   0.812180D+00  0.774556D+01 -0.689328D+01  0.415775D+01 -0.716478D+01
      4   0.415362D+01 -0.345951D+01  0.567603D+01 -0.307519D+01  0.294441D+01
      5  -0.717729D+01  0.159333D+01 -0.620361D+00  0.535633D+00 -0.221711D+01
      6  -0.121097D+02  0.479051D+01  0.394350D+01  0.242888D+01  0.608012D+01
                91            92            93            94            95 
      1  -0.217948D+01  0.274387D+01 -0.666219D+01  0.622943D+01  0.148180D+02
      2   0.196032D+00 -0.464500D+01  0.414591D+01 -0.114692D+02 -0.191504D+02
      3   0.198345D+01  0.190114D+01  0.251629D+01  0.523973D+01  0.433234D+01
      4  -0.555529D+01 -0.308212D+01 -0.128057D+02 -0.416578D+01 -0.102340D+02
      5  -0.575092D+01 -0.143878D+01 -0.339116D+01 -0.107698D+01  0.685848D+01
      6  -0.129836D+02  0.339676D+01 -0.837698D+01  0.396062D+01  0.287083D+02
                96            97            98            99           100 
      1  -0.151798D+02 -0.936749D+01 -0.204678D+02  0.268017D+01  0.690036D+02
      2   0.291057D+02  0.756259D+01  0.336014D+02 -0.657494D+01 -0.372634D+02
      3  -0.139259D+02  0.180490D+01 -0.131337D+02  0.389478D+01 -0.317402D+02
      4   0.553135D+01 -0.143135D+02  0.888679D+01 -0.111718D+02 -0.309797D+02
      5  -0.478921D+00 -0.481057D+01 -0.350170D+01 -0.101854D+00  0.314271D+02
      6  -0.951687D+01 -0.111529D+02 -0.127674D+02  0.178796D+01 -0.949319D+01
               101           102           103           104           105 
      1  -0.947234D+01  0.188855D+02  0.196870D+01  0.531464D+01  0.223320D+01
      2   0.253673D+01 -0.127430D+02 -0.446240D+01 -0.166547D+01 -0.334263D+01
      3   0.693560D+01 -0.614249D+01  0.249370D+01 -0.364917D+01  0.110943D+01
      4   0.132908D+02 -0.879789D+01  0.997625D+01 -0.502245D+01  0.402193D+01
      5  -0.491842D+01  0.182931D+02  0.728661D+00  0.505249D+01 -0.538594D+00
      6   0.329969D+01 -0.641965D+01  0.269956D+01 -0.300359D+01  0.355760D+01
               106           107           108           109           110 
      1   0.145876D+02 -0.725098D+00  0.108585D+02 -0.288944D+01 -0.917804D+01
      2  -0.117562D+02 -0.591819D+00 -0.892134D+01  0.282532D+01  0.856136D+01
      3  -0.283144D+01  0.131692D+01 -0.193713D+01  0.641200D-01  0.616681D+00
      4  -0.808152D+01  0.442670D+01 -0.695107D+01 -0.137222D+00 -0.111646D+01
      5   0.204801D+02 -0.410178D+01  0.130240D+02  0.298937D+01 -0.603731D+00
      6  -0.705020D+01  0.440235D+01 -0.460879D+01 -0.507848D+01 -0.577969D+01
               111           112           113           114           115 
      1   0.870896D+01 -0.557897D+01 -0.188330D+02  0.966903D+01  0.587407D+01
      2  -0.469086D+01  0.362194D+01  0.238263D+02 -0.885728D+01 -0.264631D+01
      3  -0.401810D+01  0.195704D+01 -0.499330D+01 -0.811752D+00 -0.322776D+01
      4  -0.195811D+01  0.462900D+01 -0.142370D+02  0.682390D+01 -0.459841D+01
      5  -0.900294D+00 -0.214323D+01  0.693770D+01 -0.863955D+01  0.318382D+01
      6   0.525090D+01 -0.553322D+00 -0.177919D+02  0.141607D+02  0.481524D+00
               116           117           118           119           120 
      1   0.767467D+01 -0.972776D+01  0.144401D+02 -0.925573D+01 -0.507359D+01
      2  -0.602269D+01  0.467112D+01 -0.328239D+00 -0.324447D+01  0.122856D+01
      3  -0.165198D+01  0.505664D+01 -0.141118D+02  0.125002D+02  0.384504D+01
      4   0.699527D+01 -0.523521D+01 -0.240895D+02  0.230573D+02  0.764778D+01
      5  -0.649905D+01  0.781631D+01 -0.107862D+02  0.716073D+01  0.873254D+01
      6   0.128688D+02 -0.130283D+02  0.713225D+01 -0.573355D+01 -0.466358D+01
               121           122           123           124           125 
      1  -0.875869D+01 -0.116889D+00 -0.150390D+01 -0.371332D+01 -0.160324D+01
      2  -0.846324D+01  0.238228D+02  0.649642D+01  0.111813D+01  0.367456D+01
      3   0.172219D+02 -0.237060D+02 -0.499252D+01  0.259519D+01 -0.207132D+01
      4   0.325130D+02 -0.446053D+02 -0.149878D+02  0.864408D+01 -0.117369D+02
      5   0.998212D+01 -0.151064D+02 -0.102065D+02  0.114711D+02 -0.105901D+02
      6  -0.101056D+02  0.176358D+02  0.114291D+02 -0.782740D+01  0.119151D+02
               126           127           128           129           130 
      1   0.878632D+00  0.219679D+02  0.753654D+01 -0.970942D+01  0.156369D+02
      2   0.146513D+01 -0.157871D+02 -0.691765D+01  0.823308D+01 -0.132342D+02
      3  -0.234376D+01 -0.618087D+01 -0.618885D+00  0.147634D+01 -0.240270D+01
      4  -0.114525D+02  0.189608D+01  0.672532D+01 -0.107489D+00  0.637018D+01
      5  -0.871247D+01 -0.148809D+02 -0.399768D+01  0.125841D+02 -0.908090D+01
      6   0.835120D+01  0.935489D+00 -0.178273D+01 -0.198739D+01 -0.257675D+01
               131           132           133           134           135 
      1   0.851546D+01 -0.530525D+01 -0.968321D+01 -0.161757D+01  0.638837D+01
      2  -0.794215D+01  0.852235D+01  0.919255D+01  0.492179D+01 -0.106329D+02
      3  -0.573314D+00 -0.321710D+01  0.490662D+00 -0.330422D+01  0.424455D+01
      4   0.883449D+01 -0.698079D+01  0.162164D+01 -0.602743D+01  0.265709D+01
      5  -0.985684D+01  0.116263D+02  0.132760D+02  0.559677D+01 -0.146228D+02
      6  -0.187957D+01  0.343898D+00 -0.143801D+01  0.244729D+01  0.119301D+01
               136           137           138           139           140 
      1   0.175553D+02  0.106457D+02 -0.571201D+01  0.109496D+02  0.283878D+01
      2  -0.211403D+01  0.220133D+01  0.165234D+01  0.660944D+01  0.195364D+02
      3  -0.154413D+02 -0.128470D+02  0.405967D+01 -0.175590D+02 -0.223752D+02
      4   0.257895D+02  0.235245D+02 -0.801206D+01  0.332141D+02  0.430221D+02
      5  -0.118919D+02 -0.759041D+01  0.939307D+01 -0.105906D+02 -0.150784D+02
      6  -0.732632D+01 -0.583659D+01  0.476315D+01 -0.100911D+02 -0.162945D+02
               141           142           143           144           145 
      1   0.428393D+00 -0.445666D+01  0.743054D+00  0.188047D+01  0.207451D+02
      2  -0.525393D+01  0.174598D+01 -0.272177D+01  0.462205D+00 -0.147104D+02
      3   0.482554D+01  0.271069D+01  0.197872D+01 -0.234267D+01 -0.603470D+01
      4  -0.149523D+02 -0.895794D+01 -0.115720D+02  0.114610D+02 -0.293330D+01
      5   0.103050D+02  0.123087D+02  0.106047D+02 -0.911288D+01 -0.143457D+02
      6   0.107803D+02  0.783613D+01  0.111267D+02 -0.799707D+01 -0.485455D+00
               146           147           148           149           150 
      1  -0.758156D+01 -0.947626D+01 -0.157672D+02  0.865338D+01  0.509659D+01
      2   0.668900D+01  0.784093D+01  0.130484D+02 -0.795105D+01 -0.822770D+01
      3   0.892552D+00  0.163532D+01  0.271885D+01 -0.702328D+00  0.313111D+01
      4   0.709898D+01  0.553121D+00  0.739266D+01 -0.981968D+01 -0.757700D+01
      5   0.413376D+01  0.121203D+02  0.919965D+01 -0.102929D+02 -0.121104D+02
      6  -0.185084D+01  0.146003D+01 -0.285900D+01  0.239120D+01  0.790693D+00
               151           152           153           154           155 
      1  -0.982568D+01  0.147912D+01  0.612380D+01  0.716999D+02  0.776329D+01
      2   0.914317D+01 -0.477166D+01 -0.103627D+02 -0.396282D+02 -0.204804D+01
      3   0.682508D+00  0.329254D+01  0.423894D+01 -0.320718D+02 -0.571525D+01
      4  -0.110353D+01 -0.625280D+01 -0.339855D+01  0.272465D+02  0.117590D+02
      5   0.130880D+02 -0.605470D+01 -0.146700D+02  0.319526D+02  0.391864D+01
      6   0.970953D+00  0.264949D+01 -0.564455D+00  0.838169D+01  0.285033D+01
               156           157           158           159           160 
      1   0.194854D+02 -0.403476D+01  0.542814D+01 -0.273685D+01  0.153115D+02
      2  -0.132976D+02  0.525432D+01 -0.215898D+01  0.357971D+01 -0.124015D+02
      3  -0.618784D+01 -0.121956D+01 -0.326916D+01 -0.842867D+00 -0.290992D+01
      4   0.759463D+01  0.917395D+01  0.368887D+01  0.392132D+01  0.714972D+01
      5   0.185742D+02 -0.179638D+01  0.503831D+01 -0.126167D+00  0.209616D+02
      6   0.578122D+01  0.247437D+01  0.252888D+01  0.327862D+01  0.635607D+01
               161           162           163           164           165 
      1   0.471647D+00  0.114364D+02 -0.225084D+01  0.838960D+01  0.844955D+01
      2   0.739029D+00 -0.949989D+01  0.231359D+01 -0.756144D+01 -0.447158D+01
      3  -0.121068D+01 -0.193652D+01 -0.627490D-01 -0.828160D+00 -0.397797D+01
      4   0.412866D+01  0.608459D+01  0.506437D+00 -0.120519D+01  0.170754D+01
      5   0.339999D+01  0.132438D+02  0.331851D+01  0.551583D+00 -0.711558D+00
      6   0.395809D+01  0.405810D+01  0.469148D+01 -0.523624D+01 -0.458938D+01
               166           167           168           169           170 
      1   0.534258D+01 -0.181734D+02 -0.942215D+01  0.596056D+01 -0.731904D+01
      2  -0.316483D+01  0.230573D+02  0.844735D+01 -0.280521D+01  0.553198D+01
      3  -0.217775D+01 -0.488387D+01  0.974799D+00 -0.315535D+01  0.178706D+01
      4   0.488824D+01  0.158909D+02  0.752246D+01  0.453257D+01  0.736467D+01
      5   0.230591D+01  0.757283D+01  0.926599D+01  0.346067D+01  0.689775D+01
      6  -0.111724D+00  0.177339D+02  0.139755D+02 -0.865437D-01  0.125882D+02
               171           172           173           174           175 
      1  -0.924785D+01  0.123057D+02 -0.598553D+01  0.255727D+00 -0.111212D+02
      2   0.420123D+01 -0.444551D+01  0.213050D+01 -0.718197D+00  0.590588D+01
      3   0.504662D+01 -0.786017D+01  0.385503D+01  0.462471D+00  0.521537D+01
      4   0.583084D+01 -0.107152D+02  0.114096D+02 -0.230851D+01  0.910414D+01
      5   0.836763D+01  0.324471D+01 -0.291285D+01  0.304748D+01 -0.808501D+01
      6   0.126709D+02 -0.294364D+01  0.367068D+01 -0.135301D+01  0.417558D+01
               176           177           178           179           180 
      1   0.484868D+01 -0.212046D+01 -0.585946D+01  0.118511D+01 -0.950158D+00
      2   0.143157D+00  0.344600D+01  0.289231D+01  0.621389D+00 -0.746761D+00
      3  -0.499184D+01 -0.132554D+01  0.296715D+01 -0.180650D+01  0.169692D+01
      4  -0.172922D+02  0.184868D+01 -0.188351D+01 -0.210023D+01 -0.367233D+01
      5   0.325827D+01 -0.549695D+01  0.167322D+00 -0.292769D+01  0.655873D+00
      6  -0.677789D+01  0.193222D+01 -0.114153D+01  0.848755D+00 -0.168577D+01
               181           182           183           184           185 
      1  -0.354523D+01 -0.255274D+00  0.324030D+01  0.171608D+00 -0.119007D+01
      2   0.105120D+01 -0.439451D+00  0.160147D+01 -0.114641D+00 -0.191840D+01
      3   0.249403D+01  0.694725D+00 -0.484177D+01 -0.569672D-01  0.310846D+01
      4  -0.275162D+01  0.544528D+00 -0.473238D+00  0.305201D+01 -0.229960D+00
      5  -0.119385D+01 -0.404838D+00  0.824497D+00 -0.459557D+00  0.291693D+01
      6   0.208494D+00  0.657647D+00 -0.688462D-01  0.159324D+01 -0.320387D+00
               186           187           188           189           190 
      1  -0.852097D-02  0.263535D+01  0.193185D+01 -0.168886D+02 -0.391830D+01
      2   0.701218D+00 -0.594686D+01  0.163063D+01 -0.187259D+02  0.565772D+01
      3  -0.692697D+00  0.331151D+01 -0.356249D+01  0.356145D+02 -0.173942D+01
      4   0.322688D+01  0.127646D+01  0.433664D+01 -0.349329D+01 -0.463379D+01
      5  -0.602725D+00  0.817038D+01 -0.227949D+01  0.227786D+02  0.297532D+01
      6   0.530835D+01  0.264798D+00  0.350981D+01  0.802495D+00  0.297768D+00
               191           192           193           194           195 
      1   0.651332D+01 -0.174658D+01  0.689768D+01 -0.198526D+02  0.438944D+01
      2  -0.821856D+01  0.106225D+01 -0.671702D+01  0.307023D+02 -0.351943D+01
      3   0.170524D+01  0.684325D+00 -0.180663D+00 -0.108497D+02 -0.870007D+00
      4   0.697252D+00  0.178425D+01  0.580520D+01  0.179595D+01 -0.468747D+00
      5  -0.437625D+00 -0.768877D+00 -0.278661D+01  0.189188D+01  0.100405D+01
      6   0.634528D+01 -0.305275D+01  0.159714D+01 -0.114987D+02  0.621422D+01
               196           197           198           199           200 
      1   0.152160D+01  0.710982D+00 -0.421824D+01 -0.573680D+00  0.134338D+01
      2  -0.130808D+01  0.279325D+01  0.236253D+01 -0.246924D+01 -0.996394D+00
      3  -0.213516D+00 -0.350424D+01  0.185571D+01  0.304292D+01 -0.346983D+00
      4   0.310488D+01  0.351529D+01 -0.160018D+01  0.220626D+00 -0.610373D+00
      5  -0.905892D+00 -0.131410D+00  0.677918D+00 -0.180111D+01  0.771381D-01
      6  -0.211428D+01  0.255312D+01 -0.174576D+01 -0.553630D+00  0.206956D+01
               201           202           203           204           205 
      1  -0.324044D+01 -0.114358D+01 -0.377122D+01  0.290659D+00 -0.312349D+01
      2   0.907830D+00  0.101542D+01  0.132323D+01 -0.425663D+01  0.265108D+01
      3   0.233261D+01  0.128163D+00  0.244799D+01  0.396597D+01  0.472415D+00
      4  -0.102336D+01 -0.187302D+01 -0.312210D+01  0.344651D-01 -0.393071D+01
      5   0.388882D+01  0.875669D+00  0.417730D+00 -0.208731D+01  0.407424D+01
      6  -0.171642D+01  0.180133D+01 -0.651963D+00  0.228867D+01  0.814686D+00
               206           207           208           209           210 
      1   0.464471D+01 -0.204279D+02 -0.409574D+01 -0.712178D+01 -0.208336D+01
      2  -0.440273D+00 -0.142478D+02  0.591695D+01  0.923951D+01  0.136474D+01
      3  -0.420444D+01  0.346757D+02 -0.182122D+01 -0.211773D+01  0.718616D+00
      4  -0.283907D+01 -0.540102D+00  0.539913D+01  0.114099D+01 -0.166025D+01
      5   0.301908D+01 -0.141401D+02  0.313473D+01  0.687462D+00 -0.662951D+00
      6   0.741226D+01 -0.182466D+02 -0.672041D-01  0.680747D+01  0.335327D+01
               211           212           213           214           215 
      1  -0.704464D+01 -0.193100D+02 -0.430135D+01  0.124009D+01 -0.422984D+00
      2   0.727255D+01  0.300947D+02  0.345572D+01 -0.118278D+01 -0.309680D+01
      3  -0.227909D+00 -0.107848D+02  0.845631D+00 -0.573098D-01  0.351978D+01
      4   0.615716D+01  0.102505D+00 -0.497452D-01 -0.306979D+01  0.353223D+01
      5   0.281434D+01  0.224632D+01 -0.702452D+00 -0.808093D+00  0.269969D+00
      6   0.196482D+01  0.109768D+02  0.608625D+01  0.225073D+01  0.244186D+01
               216           217           218           219           220 
      1  -0.405776D+01 -0.629343D+00 -0.152137D+01 -0.316089D+01  0.846493D+00
      2   0.221619D+01 -0.242684D+01  0.120318D+01  0.991543D+00 -0.688114D+00
      3   0.184158D+01  0.305618D+01  0.318196D+00  0.216935D+01 -0.158378D+00
      4   0.187648D+01 -0.399628D+00 -0.346463D+00  0.121605D+01 -0.178781D+01
      5   0.757402D+00 -0.179915D+01  0.115960D+00  0.404407D+01 -0.685991D+00
      6   0.169248D+01  0.810169D+00  0.207122D+01  0.164900D+01  0.182626D+01
               221           222           223           224           225 
      1  -0.347112D+01 -0.164338D+00 -0.299044D+01 -0.478671D+01 -0.203816D+02
      2   0.103352D+01  0.418831D+01  0.231612D+01  0.570475D+00 -0.142638D+02
      3   0.243759D+01 -0.402397D+01  0.674319D+00  0.421623D+01  0.346454D+02
      4   0.342216D+01  0.183518D+00  0.406090D+01 -0.279390D+01  0.793455D+00
      5   0.472371D+00  0.198735D+01  0.390266D+01 -0.288007D+01 -0.132971D+02
      6   0.484456D+00  0.214749D+01 -0.656766D+00  0.760768D+01  0.188936D+02
               226           227           228           229           230 
      1   0.139447D+02  0.664011D+01  0.537484D+00  0.116576D+02  0.511258D+01
      2  -0.571005D+01 -0.296453D+01 -0.103752D+01 -0.669489D+01 -0.257887D+00
      3  -0.823467D+01 -0.367557D+01  0.500036D+00 -0.496273D+01 -0.485470D+01
      4   0.107918D+02  0.112372D+02  0.232334D+01  0.854706D+01  0.163245D+02
      5   0.383777D+01  0.306256D+01  0.332438D+01  0.832583D+01  0.284572D+01
      6   0.311703D+01  0.368699D+01  0.129061D+01  0.405002D+01  0.615059D+01
               231           232           233           234           235 
      1   0.242194D+01 -0.575865D+01 -0.102545D+01 -0.672206D+00 -0.327231D+01
      2  -0.384202D+01  0.274782D+01 -0.702107D+00 -0.998749D+00  0.804039D+00
      3   0.142008D+01  0.301083D+01  0.172756D+01  0.167095D+01  0.246827D+01
      4   0.148995D+01  0.219204D+01 -0.217827D+01  0.366690D+01  0.307447D+01
      5   0.553856D+01  0.322591D+00  0.299288D+01  0.707317D+00 -0.114892D+01
      6   0.172240D+01  0.114185D+01  0.719500D+00  0.164624D+01 -0.658609D-01
               236           237           238           239           240 
      1   0.383961D+00  0.328861D+01  0.181160D+00 -0.119065D+01  0.139407D+00
      2   0.284505D+00  0.151959D+01 -0.260066D+00 -0.194702D+01 -0.103949D+01
      3  -0.668466D+00 -0.480820D+01  0.789063D-01  0.313768D+01  0.900087D+00
      4   0.430260D+00  0.532792D+00  0.292591D+01  0.482518D-01  0.316339D+01
      5   0.601973D+00  0.862908D+00  0.697032D+00  0.287911D+01  0.788327D+00
      6   0.652836D+00  0.257951D+00  0.158209D+01  0.999219D-01  0.526719D+01
               241           242           243           244           245 
      1   0.243666D+01 -0.165997D+01 -0.165819D+02 -0.207465D+01 -0.220003D+01
      2  -0.589929D+01 -0.174970D+01 -0.190170D+02  0.389321D+00  0.396187D+01
      3   0.346262D+01  0.340967D+01  0.355989D+02  0.168533D+01 -0.176183D+01
      4  -0.145361D+01  0.439899D+01  0.338896D+01  0.536787D+01 -0.256896D+01
      5   0.824435D+01  0.206905D+01  0.226955D+02 -0.501180D+01  0.208908D+01
      6  -0.468725D+00  0.342938D+01 -0.178007D+01  0.134593D+02  0.140245D+01
               246           247           248           249           250 
      1  -0.478243D+01 -0.585531D+01  0.159416D+02  0.157832D+02 -0.713677D+01
      2   0.163141D+01  0.110177D+02 -0.204772D+02 -0.295844D+02  0.474939D+01
      3   0.315102D+01 -0.516242D+01  0.453561D+01  0.138012D+02  0.238737D+01
      4   0.133814D+02 -0.319759D+01  0.898649D+01  0.298757D+01  0.152726D+02
      5  -0.300045D+01  0.169092D+01  0.538693D+01  0.148394D+00 -0.415461D+01
      6   0.807405D+01  0.207388D+01 -0.292152D+02 -0.986936D+01  0.107638D+02
               251           252           253           254           255 
      1   0.215298D+02  0.366869D+01 -0.567321D+01  0.274842D+01  0.901375D+01
      2  -0.346078D+02 -0.757419D+01  0.845014D+01 -0.312067D+01 -0.156833D+01
      3   0.130780D+02  0.390550D+01 -0.277693D+01  0.372247D+00 -0.744542D+01
      4   0.583453D+01  0.107137D+02  0.697165D+01  0.188375D+01 -0.592597D+01
      5   0.312049D+01 -0.169722D+00  0.875719D+01  0.454408D+00 -0.212547D+01
      6  -0.134035D+02 -0.179881D+01 -0.602726D+01 -0.356330D+01 -0.452900D+01
               256           257           258           259           260 
      1   0.530670D+01 -0.158671D+02 -0.892518D+01  0.601044D+01 -0.509061D+01
      2  -0.885091D+01  0.151579D+02  0.163407D+02  0.104522D+01  0.887952D+01
      3   0.354420D+01  0.709188D+00 -0.741554D+01 -0.705567D+01 -0.378891D+01
      4   0.134936D+01 -0.295333D+01 -0.211681D+01 -0.608275D+01 -0.223195D+01
      5   0.639554D+00 -0.671552D+01 -0.128928D+01 -0.797992D+00 -0.365854D+00
      6  -0.244160D+01  0.127533D+02  0.506259D+01 -0.382037D+01  0.262812D+01
               261           262           263           264           265 
      1   0.285864D+01  0.173825D+02 -0.287137D+01 -0.556188D+01 -0.431430D+00
      2   0.427065D+01 -0.153551D+02  0.585646D+01  0.790299D+01  0.230193D+01
      3  -0.712930D+01 -0.202735D+01 -0.298509D+01 -0.234110D+01 -0.187050D+01
      4  -0.289617D+01  0.149315D+02  0.615007D+01 -0.720154D+01  0.131668D+01
      5  -0.248434D+01 -0.175152D+02 -0.262896D+01  0.108486D+02  0.222118D+01
      6  -0.596802D+01 -0.701506D+01 -0.353581D+01  0.632690D+01 -0.209320D+00
               266           267           268           269           270 
      1   0.431338D+01 -0.595299D+00 -0.328692D+01 -0.571996D+00  0.148767D+01
      2  -0.301529D+01 -0.375716D+00  0.658620D+01  0.158282D+01 -0.715056D+01
      3  -0.129808D+01  0.971015D+00 -0.329928D+01 -0.101083D+01  0.566288D+01
      4   0.401861D-02  0.375159D+00 -0.280059D+01 -0.198801D+00  0.313345D+01
      5  -0.217351D+00 -0.126715D+01  0.792434D+01  0.468875D-01 -0.720718D+01
      6   0.163806D+01 -0.217085D+00  0.327702D+01  0.120602D+01 -0.479036D+01
               271           272           273           274           275 
      1  -0.254195D+00  0.617208D+01 -0.732927D+01  0.184956D+01 -0.182647D+01
      2  -0.430808D+01 -0.620176D+01 -0.188013D+01 -0.189784D+01 -0.519054D+00
      3   0.456228D+01  0.296832D-01  0.920940D+01  0.482738D-01  0.234553D+01
      4  -0.362018D+01 -0.801477D+00 -0.333113D+01 -0.192682D-01 -0.203150D+01
      5   0.186645D+01  0.298131D+00  0.339141D+01 -0.129272D-01  0.220700D+01
      6  -0.243290D+01  0.547300D+01 -0.849756D+01  0.243925D+01 -0.237300D+01
               276           277           278           279           280 
      1   0.158564D+01 -0.246825D+01  0.611214D+01 -0.150542D+02  0.122225D+02
      2  -0.590887D+00 -0.115422D+01 -0.227882D+01 -0.123865D+02 -0.273779D+01
      3  -0.994749D+00  0.362247D+01 -0.383333D+01  0.274407D+02 -0.948470D+01
      4   0.128211D+01 -0.329038D+01 -0.892194D+00 -0.307967D+01  0.250264D+02
      5  -0.958893D+00  0.384553D+01  0.301208D+00 -0.129686D+01  0.751292D+01
      6   0.505857D+01 -0.170722D+01  0.746918D+01 -0.200373D+02  0.965905D+01
               281           282           283           284           285 
      1  -0.246300D+01  0.449904D+01 -0.327012D+01 -0.135216D+01 -0.779740D+00
      2   0.101092D+02 -0.134341D+01  0.721670D+01  0.529008D+01  0.994759D+00
      3  -0.764623D+01 -0.315563D+01 -0.394658D+01 -0.393792D+01 -0.215020D+00
      4   0.118385D+02  0.956571D+01  0.617841D+01  0.840307D+01  0.190406D+01
      5   0.168306D+01  0.636868D+01  0.669351D+00  0.177834D+01  0.741785D+00
      6   0.295068D+01  0.862937D+01  0.120557D+01  0.166015D+01  0.343778D+01
               286           287           288           289           290 
      1   0.505629D+01 -0.104398D+01  0.664028D+00 -0.316843D+01 -0.775326D+00
      2  -0.210218D+01  0.445925D+01  0.399964D+00  0.816010D+01  0.550253D+01
      3  -0.295411D+01 -0.341527D+01 -0.106399D+01 -0.499167D+01 -0.472720D+01
      4   0.153799D+02  0.616004D+01  0.102337D+02  0.775653D+01  0.149688D+02
      5   0.772288D+01  0.303901D+01  0.755636D+01 -0.146143D+01 -0.329278D+01
      6   0.106097D+02  0.775819D+01  0.131440D+02 -0.448141D+01 -0.421253D+01
               291           292           293           294           295 
      1   0.100639D+01 -0.444913D+01 -0.357410D+02  0.128917D+02  0.398448D+01
      2  -0.224433D+01  0.108416D+02  0.634942D+02 -0.202523D+02 -0.606442D+01
      3   0.123795D+01 -0.639250D+01 -0.277532D+02  0.736068D+01  0.207994D+01
      4  -0.471026D+01  0.122431D+02  0.192969D+02 -0.739234D+01 -0.574840D+01
      5   0.364365D+01 -0.192459D+01 -0.462493D+01  0.306001D+01  0.404820D+01
      6   0.352506D+01 -0.603140D+01 -0.291888D+02  0.181361D+02  0.733022D+01
               296           297           298           299           300 
      1   0.195398D+02 -0.128616D+02 -0.356997D+01  0.586077D+00  0.806697D+00
      2  -0.284675D+02  0.153940D+02  0.811603D+01 -0.427633D+01 -0.171351D+01
      3   0.892765D+01 -0.253234D+01 -0.454607D+01  0.369025D+01  0.906810D+00
      4  -0.107427D+02  0.810166D+01 -0.608145D+01  0.142360D+02  0.428422D+01
      5   0.506630D+01 -0.441432D+01 -0.105794D+01  0.298492D+01  0.336971D+01
      6   0.260916D+02 -0.209253D+02  0.413420D+01 -0.322546D+01 -0.285902D+01
               301           302           303           304           305 
      1   0.401674D+01 -0.375158D+02 -0.135253D+02  0.355505D+01 -0.205898D+02
      2  -0.938412D+01  0.657130D+02  0.209336D+02 -0.523714D+01  0.296225D+02
      3   0.536738D+01 -0.281973D+02 -0.740828D+01  0.168208D+01 -0.903273D+01
      4   0.111230D+02 -0.159739D+02 -0.608981D+01  0.490975D+01 -0.880315D+01
      5   0.155415D+01 -0.352752D+01 -0.240219D+01  0.353979D+01 -0.407237D+01
      6  -0.499220D+01  0.297652D+02  0.183965D+02 -0.632575D+01  0.266002D+02
               306           307           308           309           310 
      1  -0.135260D+02  0.102339D+02  0.279872D+01  0.362594D+01  0.318521D+01
      2   0.160691D+02 -0.124481D+01 -0.105732D+02 -0.452012D+00 -0.730295D+01
      3  -0.254309D+01 -0.898907D+01  0.777445D+01 -0.317393D+01  0.411773D+01
      4  -0.681906D+01 -0.248237D+02  0.119247D+02 -0.970845D+01  0.639445D+01
      5  -0.348387D+01  0.694811D+01 -0.185134D+01  0.592247D+01 -0.894455D+00
      6   0.210989D+02 -0.975799D+01  0.342554D+01 -0.871753D+01  0.162003D+01
               311           312           313           314           315 
      1  -0.259156D+01  0.690508D+00  0.369456D+01  0.126315D+01 -0.304732D+00
      2   0.715041D+01 -0.982688D+00 -0.860866D+00 -0.470910D+01  0.139965D+01
      3  -0.455885D+01  0.292180D+00 -0.283370D+01  0.344595D+01 -0.109492D+01
      4  -0.894486D+01  0.223923D+01 -0.153803D+02  0.654830D+01 -0.102000D+02
      5   0.171544D+01 -0.891370D+00  0.708591D+01 -0.307181D+01  0.693515D+01
      6  -0.185815D+01  0.388524D+01 -0.105512D+02  0.841760D+01 -0.134369D+02
               316           317           318           319           320 
      1   0.163283D+02  0.301238D+01 -0.486417D+01  0.329457D+00  0.435984D+01
      2  -0.144377D+02 -0.595138D+01  0.725987D+01 -0.209269D+01 -0.275625D+01
      3  -0.189053D+01  0.293899D+01 -0.239570D+01  0.176323D+01 -0.160359D+01
      4  -0.159577D+02  0.619042D+01  0.779099D+01  0.190292D+01 -0.110909D+01
      5  -0.172001D+02  0.317267D+01  0.106247D+02 -0.156044D+01 -0.414154D+00
      6   0.758654D+01 -0.397323D+01 -0.681172D+01 -0.550722D+00 -0.129346D+01
               321           322           323           324           325 
      1   0.845182D+00 -0.295483D+01  0.758312D+00  0.119166D+01 -0.318509D+00
      2   0.241853D-01  0.622975D+01 -0.188126D+01 -0.685251D+01 -0.424392D+01
      3  -0.869368D+00 -0.327492D+01  0.112295D+01  0.566085D+01  0.456243D+01
      4   0.193398D-01  0.328846D+01 -0.340047D+00 -0.350368D+01  0.342146D+01
      5   0.793404D+00  0.776408D+01 -0.355149D+00 -0.699084D+01  0.198246D+01
      6   0.365743D-01 -0.360601D+01  0.133097D+01  0.511231D+01  0.270557D+01
               326           327           328           329           330 
      1  -0.630759D+01 -0.708328D+01 -0.191026D+01 -0.128142D+01 -0.114430D+01
      2   0.643920D+01 -0.216597D+01  0.205758D+01 -0.107116D+01  0.562416D+00
      3  -0.131611D+00  0.924924D+01 -0.147312D+00  0.235258D+01  0.581880D+00
      4  -0.306887D+00  0.361812D+01  0.826160D-01  0.210622D+01  0.121551D+01
      5  -0.372541D-01  0.381301D+01  0.140509D+00  0.231329D+01  0.101678D+01
      6   0.546347D+01  0.856279D+01  0.242102D+01  0.191068D+01  0.462840D+01
               331           332           333 
      1  -0.244601D+01 -0.604853D+01 -0.147617D+02
      2  -0.135047D+01  0.238073D+01 -0.126516D+02
      3   0.379648D+01  0.366780D+01  0.274133D+02
      4   0.332127D+01 -0.656225D+00  0.319502D+01
      5   0.391187D+01 -0.135141D+00 -0.390086D+00
      6   0.187274D+01  0.738939D+01  0.200605D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.658671D-03      0.167418D-02      0.558445D-02
   y          0.143809D-01      0.365526D-01      0.121926D+00
   z          0.725989D-03      0.184528D-02      0.615519D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149422D+03      0.221421D+02      0.246364D+02
   yx        -0.441725D-02     -0.654570D-03     -0.728307D-03
   yy         0.148320D+03      0.219787D+02      0.244546D+02
   zx        -0.453560D-01     -0.672107D-02     -0.747820D-02
   zy        -0.468236D-04     -0.693854D-05     -0.772017D-05
   zz         0.120632D+03      0.178758D+02      0.198895D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143215D+03      0.212222D+02      0.236129D+02
   aniso      0.286864D+02      0.425088D+01      0.472974D+01
   xx         0.153351D+03      0.227243D+02      0.252842D+02
   yx        -0.459435D-02     -0.680812D-03     -0.757506D-03
   yy         0.152190D+03      0.225523D+02      0.250928D+02
   zx        -0.466385D-01     -0.691111D-02     -0.768965D-02
   zy        -0.151776D-02     -0.224909D-03     -0.250245D-03
   zz         0.124102D+03      0.183900D+02      0.204617D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.63170140          1.56519360         -2.77330559
     6         -4.63491925         -1.28260134         -2.93006991
     7         -1.94868331         -2.20046724         -2.72415828
    45         -0.00033715          0.00025888          0.00223332
     7          2.06738136          1.91138398         -2.85031279
     6          4.75860935          0.98506499         -2.84288536
     6          4.74403713         -1.83123877         -2.39211776
     7          3.24147205         -2.35582258         -0.03335288
     7         -3.23342707          2.33310036         -0.41702454
     7          1.56310870          2.20941609          2.96034269
     6          1.18659769          0.86180546          5.43712811
     1          6.65944756         -2.56771819         -2.20264289
     1          3.84681089         -2.83895626         -3.94943791
     1          5.68506960          1.45299991         -4.62308593
     1          5.76803186          1.97940847         -1.34663991
     1         -5.48456994         -1.93423556         -4.69069712
     1         -5.71129724         -2.11756751         -1.38388476
     1         -6.55143104          2.31420944         -2.74583374
     1         -3.66379171          2.40780667         -4.38551415
     1         -4.42914598          2.17120471          1.08583249
     1         -2.84040798          4.21706091         -0.52205729
     1         -1.12845012         -2.09360158         -4.46469920
     1         -1.96699633         -4.08495861         -2.32070815
     1          1.32294939          1.62058459         -4.60378038
     1          2.07102177          3.82770644         -2.64543478
     1          4.36920616         -2.03755754          1.49673061
     1          2.84870975         -4.24138187          0.03829273
     6         -1.41829863         -0.30062832          5.44156318
     7         -1.69189832         -1.89654938          3.10276797
     1          3.42959843          2.64421984          2.76086658
     1          0.68108274          3.92080934          3.05632857
     1          2.64719557         -0.58231926          5.60950426
     1          1.42451777          2.17010910          7.01149378
     1         -1.72544698         -1.44075577          7.13056109
     1         -2.88217764          1.14983129          5.40223913
     1         -3.54901260         -2.35495197          2.87094007
     1         -0.81737675         -3.58656429          3.41140659

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.144143D-01      0.366374D-01      0.122209D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149365D+03      0.221336D+02      0.246269D+02
   yx        -0.126523D+01     -0.187488D+00     -0.208609D+00
   yy         0.120758D+03      0.178945D+02      0.199103D+02
   zx         0.107439D+00      0.159209D-01      0.177144D-01
   zy         0.139152D+01      0.206201D+00      0.229430D+00
   zz         0.148251D+03      0.219686D+02      0.244433D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143215D+03      0.212222D+02      0.236129D+02
   aniso      0.286864D+02      0.425088D+01      0.472974D+01
   xx         0.153293D+03      0.227156D+02      0.252745D+02
   yx        -0.128479D+01     -0.190386D+00     -0.211833D+00
   yy         0.124230D+03      0.184090D+02      0.204828D+02
   zx         0.110845D+00      0.164255D-01      0.182759D-01
   zy         0.141304D+01      0.209391D+00      0.232978D+00
   zz         0.152121D+03      0.225420D+02      0.250813D+02

 ----------------------------------------------------------------------
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 RESEARCH IS WHAT I AM DOING WHEN I DON'T KNOW WHAT I AM DOING.
     -- WERNER VON BRAUN
 Job cpu time:       2 days  3 hours  6 minutes 33.8 seconds.
 Elapsed time:       0 days  3 hours 11 minutes 52.5 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 03:39:32 2021.
